In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 12th, 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) | 1.86 | 7.02 | -42.33 | 1 | 3 | 1 | 25 | 213.345 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.86 | 4.82 | -7.06 | 0 | 3 | 0 | 24 | 212.337 | 4 | ↓ |