In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 14 | 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) | 0.84 | 2.98 | -46.58 | 0 | 4 | -1 | 53 | 200.258 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.84 | 4.47 | -36.76 | 1 | 4 | 0 | 54 | 201.266 | 3 | ↓ |