In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 17 | Yes |
Popular Name: 4-amino-2-bromo-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide 4-amino-2-bromo-N-(1,3,4-thiadia…
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) | 1.23 | 0.54 | -48.82 | 2 | 6 | -1 | 100 | 334.2 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.23 | 0.38 | -13.18 | 3 | 6 | 0 | 98 | 335.208 | 3 | ↓ |
Popular Name: 2,5-dibromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide 2,5-dibromo-N-(5-methyl-1,3,4-th…
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) | 2.68 | 4.01 | -39.99 | 0 | 5 | -1 | 74 | 412.108 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 3.94 | -12.63 | 1 | 5 | 0 | 72 | 413.116 | 3 | ↓ |
Popular Name: 4-bromo-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide 4-bromo-N-(1,3,4-thiadiazol-2-yl…
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) | 2.23 | -4.66 | -11.69 | 1 | 5 | 0 | 71 | 320.193 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.23 | -4.09 | -36.76 | 0 | 5 | -1 | 74 | 319.185 | 3 | ↓ |
Popular Name: 4-amino-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide 4-amino-N-(1,3,4-thiadiazol-2-yl…
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) | 0.50 | -0.16 | -49.08 | 2 | 6 | -1 | 100 | 255.304 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.50 | -0.3 | -79.53 | 3 | 6 | 0 | 102 | 256.312 | 3 | ↓ |