In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2009 | 32 | 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) | 3.89 | 8.51 | -26.05 | 2 | 7 | 0 | 101 | 476.599 | 10 | ↓ |
Hi High (pH 8-9.5) | 4.08 | 7.47 | -47.7 | 1 | 7 | -1 | 107 | 475.591 | 10 | ↓ |