In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 24th, 2011 | 18 | 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) | 1.66 | 2.8 | -8.23 | 0 | 4 | 0 | 41 | 272.345 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.66 | 5.04 | -44.43 | 1 | 4 | 1 | 42 | 273.353 | 3 | ↓ |