In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 16 | 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) | 1.79 | 3.21 | -39.86 | 3 | 3 | 1 | 40 | 225.356 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.79 | 5.24 | -115.46 | 4 | 3 | 2 | 41 | 226.364 | 3 | ↓ |