In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2009 | 22 | 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) | 1.85 | 5.43 | -20.23 | 2 | 6 | 0 | 92 | 299.33 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 7.52 | -56.89 | 3 | 6 | 1 | 93 | 300.338 | 6 | ↓ |