In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 15 | 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) | 0.94 | 6.14 | -79.5 | 2 | 3 | 2 | 12 | 213.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 6.02 | -97.56 | 2 | 3 | 2 | 12 | 213.369 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 3.77 | -33.15 | 1 | 3 | 1 | 11 | 212.361 | 4 | ↓ |