In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 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) | -0.62 | 0.8 | -96.75 | 5 | 4 | 2 | 61 | 185.271 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.62 | 0.41 | -41.56 | 4 | 4 | 1 | 60 | 184.263 | 2 | ↓ |