In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 34 | 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) | 4.04 | 13.96 | -68.37 | 1 | 6 | 1 | 62 | 464.582 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 11.68 | -20.75 | 0 | 6 | 0 | 61 | 463.574 | 7 | ↓ |