In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: 4-amino-2-cyano-N-(4-methylsulfanylphenyl)benzenesulfonamide 4-amino-2-cyano-N-(4-methylsulfa…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.90 | 3.64 | -52.14 | 2 | 5 | -1 | 98 | 318.403 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 3.6 | -12.25 | 3 | 5 | 0 | 96 | 319.411 | 4 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.83 | -1.52 | -12.07 | 1 | 4 | 0 | 69 | 272.329 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.83 | -0.94 | -49.18 | 0 | 4 | -1 | 72 | 271.321 | 3 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.14 | 5.12 | -14.47 | 1 | 5 | 0 | 94 | 283.312 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.14 | 5.19 | -44.14 | 0 | 5 | -1 | 96 | 282.304 | 3 | ↓ |
Popular Name: 2-cyano-N-(4-methylsulfonylphenyl)benzenesulfonamide 2-cyano-N-(4-methylsulfonylpheny…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.28 | 2.25 | -18.44 | 1 | 6 | 0 | 104 | 336.394 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.28 | 2.33 | -51.34 | 0 | 6 | -1 | 106 | 335.386 | 4 | ↓ |
Popular Name: 2-cyano-N-(4-methylsulfanylphenyl)benzenesulfonamide 2-cyano-N-(4-methylsulfanylpheny…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.84 | 5.73 | -11.98 | 1 | 4 | 0 | 70 | 304.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 5.82 | -46.63 | 0 | 4 | -1 | 72 | 303.388 | 4 | ↓ |