In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 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) | 7.19 | 14.52 | -16.6 | 1 | 4 | 0 | 51 | 443.012 | 7 | ↓ |
Hi High (pH 8-9.5) | 7.38 | 12.29 | -46.18 | 0 | 4 | -1 | 58 | 442.004 | 7 | ↓ |