In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 0.69 | 3.38 | -13.83 | 1 | 3 | 0 | 61 | 175.187 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.69 | 4.16 | -51.07 | 0 | 3 | -1 | 64 | 174.179 | 3 | ↓ |