In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 14 | 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) | 1.78 | 3.74 | -48.5 | 3 | 4 | 1 | 59 | 279.183 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 1.1 | -37.17 | 1 | 4 | -1 | 60 | 277.167 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.78 | 2.39 | -11.03 | 2 | 4 | 0 | 54 | 278.175 | 5 | ↓ |