In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 20th, 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) | 0.74 | 4.62 | -88.73 | 3 | 6 | 0 | 89 | 285.25 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.74 | 3.29 | -56.45 | 2 | 6 | -1 | 84 | 284.242 | 2 | ↓ |