In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 22 | 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) | 0.62 | 5.83 | -58.23 | 3 | 5 | 1 | 66 | 320.438 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.62 | 4.45 | -12.17 | 2 | 5 | 0 | 61 | 319.43 | 3 | ↓ |