In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2009 | 8 | 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) | -0.07 | 4.47 | -44.07 | 1 | 2 | 1 | 28 | 111.168 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 1.44 | -5.07 | 0 | 2 | 0 | 27 | 110.16 | 2 | ↓ |