In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 12 | 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) | 1.11 | 2.72 | -42.82 | 2 | 3 | 1 | 39 | 168.216 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.11 | 1.38 | -5.39 | 1 | 3 | 0 | 34 | 167.208 | 1 | ↓ |