In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 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) | 1.68 | 4.75 | -35.38 | 4 | 3 | 1 | 55 | 246.256 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 4.79 | -4.9 | 3 | 3 | 0 | 53 | 245.248 | 5 | ↓ |