In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2010 | 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) | 1.57 | 2.01 | -6.83 | 1 | 4 | 0 | 46 | 247.294 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 4.31 | -40.18 | 2 | 4 | 1 | 47 | 248.302 | 3 | ↓ |