In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 5th, 2008 | 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) | 3.41 | 9.44 | -24.81 | 3 | 9 | 0 | 130 | 403.398 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 8.96 | -44.05 | 2 | 9 | -1 | 128 | 402.39 | 6 | ↓ |