In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 4th, 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) | 0.65 | 3.37 | -38.55 | 2 | 3 | 1 | 29 | 213.345 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.65 | 5.47 | -101.67 | 3 | 3 | 2 | 30 | 214.353 | 4 | ↓ |