In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 33 | 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) | 8.21 | 15.37 | -19.19 | 1 | 4 | 0 | 51 | 485.093 | 9 | ↓ |
Hi High (pH 8-9.5) | 8.35 | 12.98 | -46.55 | 0 | 4 | -1 | 58 | 484.085 | 9 | ↓ |