In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 12 | 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) | -0.11 | 2.73 | -39.35 | 2 | 3 | 1 | 48 | 169.248 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 0.72 | -8.59 | 1 | 3 | 0 | 47 | 168.24 | 2 | ↓ |