In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 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) | 4.06 | 11.68 | -20.05 | 1 | 7 | 0 | 83 | 499.464 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.88 | 10.61 | -54.58 | 0 | 7 | -1 | 89 | 498.456 | 10 | ↓ |