In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 36 | 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) | 5.24 | 10.43 | -38.51 | 1 | 8 | -1 | 100 | 513.014 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 9.66 | -14.52 | 2 | 8 | 0 | 97 | 514.022 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 9.33 | -13.85 | 2 | 8 | 0 | 97 | 514.022 | 12 | ↓ |