In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 30 | 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) | 4.97 | 14.32 | -52.58 | 1 | 5 | 1 | 49 | 449.04 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.97 | 12.18 | -12.81 | 0 | 5 | 0 | 47 | 448.032 | 10 | ↓ |