In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 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) | 2.16 | 3.86 | -42.81 | 3 | 4 | 1 | 53 | 279.404 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.16 | 5.61 | -111.06 | 4 | 4 | 2 | 54 | 280.412 | 4 | ↓ |