In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2008 | 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) | -0.71 | 2.71 | -42.82 | 2 | 4 | 1 | 46 | 189.279 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.71 | 1.32 | -9.76 | 1 | 4 | 0 | 42 | 188.271 | 7 | ↓ |