In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 17 | 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) | 0.78 | 3.69 | -81.3 | 4 | 5 | 0 | 97 | 236.271 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.78 | 3.35 | -50.55 | 3 | 5 | -1 | 95 | 235.263 | 4 | ↓ |