In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2006 | 35 | 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) | 2.05 | -3.09 | -53.72 | 2 | 9 | 1 | 108 | 502.613 | 10 | ↓ |
Mid Mid (pH 6-8) | 1.47 | -3.2 | -63.57 | 1 | 9 | 1 | 105 | 502.613 | 10 | ↓ |