In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2006 | 31 | 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) | 5.51 | 14.03 | -11.12 | 0 | 5 | 0 | 49 | 426.58 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.51 | 14.35 | -38.69 | 1 | 5 | 1 | 51 | 427.588 | 6 | ↓ |