In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 27th, 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) | 4.32 | 12.49 | -19.5 | 1 | 7 | 0 | 86 | 463.032 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.50 | 11.29 | -51.97 | 0 | 7 | -1 | 92 | 462.024 | 7 | ↓ |