In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2008 | 18 | 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) | 3.79 | 9.79 | -44.66 | 2 | 1 | 1 | 17 | 323.279 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.79 | 8.72 | -2.76 | 1 | 1 | 0 | 12 | 322.271 | 3 | ↓ |