In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 38 | 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) | 5.02 | 12.33 | -57 | 4 | 7 | 1 | 84 | 513.662 | 11 | ↓ |
Hi High (pH 8-9.5) | 5.20 | 9.96 | -39.63 | 3 | 7 | 0 | 90 | 512.654 | 11 | ↓ |