In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2011 | 30 | 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) | 0.30 | 11.8 | -80.45 | 4 | 7 | 1 | 106 | 451.609 | 20 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 11.5 | -48.83 | 3 | 7 | 0 | 105 | 450.601 | 20 | ↓ |