In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 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) | 2.78 | 4.04 | -13.49 | 2 | 5 | 0 | 75 | 248.282 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.24 | 1.4 | -48.94 | 1 | 5 | -1 | 78 | 247.274 | 5 | ↓ |