In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2009 | 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) | 5.36 | 15.59 | -59.24 | 1 | 4 | 1 | 38 | 463.092 | 9 | ↓ |
Hi High (pH 8-9.5) | 5.36 | 13.12 | -14.1 | 0 | 4 | 0 | 36 | 462.084 | 9 | ↓ |