In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 14 | No |
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) | 0.68 | 0.04 | -12.91 | 1 | 5 | 0 | 83 | 276.115 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.68 | -0.36 | -31.05 | 0 | 5 | -1 | 85 | 275.107 | 3 | ↓ |