In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 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) | 0.58 | 0 | -54.8 | 4 | 3 | 1 | 61 | 195.267 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.58 | 0.78 | -80.1 | 3 | 3 | 0 | 64 | 194.259 | 2 | ↓ |