In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | 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) | 1.52 | 3.79 | -41.03 | 4 | 3 | 1 | 57 | 213.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.52 | 3.49 | -5.1 | 3 | 3 | 0 | 55 | 212.337 | 4 | ↓ |