In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 13 | 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) | 2.09 | 0.18 | -9.14 | 2 | 3 | 0 | 53 | 175.187 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 0.95 | -51.01 | 1 | 3 | -1 | 56 | 174.179 | 0 | ↓ |