In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 30 | Yes |
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) | 4.08 | 0.02 | -8.94 | 1 | 5 | 0 | 56 | 401.51 | 3 | ↓ |
Popular Name: o-tolyl-sec-butyl-BLAHdione o-tolyl-sec-butyl-BLAHdione
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) | 4.08 | 11.23 | -8.47 | 1 | 5 | 0 | 56 | 401.51 | 3 | ↓ |
Popular Name: o-tolyl-sec-butyl-BLAHdione o-tolyl-sec-butyl-BLAHdione
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) | 4.08 | 11.17 | -8.14 | 1 | 5 | 0 | 56 | 401.51 | 3 | ↓ |
Popular Name: o-tolyl-propyl-BLAHdione o-tolyl-propyl-BLAHdione
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) | 3.75 | 10.5 | -8.89 | 1 | 5 | 0 | 56 | 387.483 | 3 | ↓ |
Popular Name: o-tolyl-propyl-BLAHdione o-tolyl-propyl-BLAHdione
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) | 3.75 | 10.4 | -8.82 | 1 | 5 | 0 | 56 | 387.483 | 3 | ↓ |