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) | 1.38 | 4.26 | -51.32 | 4 | 4 | 1 | 81 | 232.307 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 3.97 | -12.81 | 3 | 4 | 0 | 79 | 231.299 | 5 | ↓ |