In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 16th, 2009 | 20 | 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) | 1.94 | 6.5 | -50.01 | 3 | 4 | 1 | 55 | 272.372 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 6.92 | -100.21 | 4 | 4 | 2 | 56 | 273.38 | 4 | ↓ |