In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 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) | 0.90 | 5.27 | -52.2 | 0 | 5 | -1 | 65 | 271.296 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 5.66 | -56.78 | 1 | 5 | 0 | 67 | 272.304 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.90 | 7.53 | -49.74 | 1 | 5 | 0 | 67 | 272.304 | 3 | ↓ |