In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 35 | 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) | 5.03 | 16.14 | -80.37 | 2 | 7 | 2 | 66 | 515.441 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.03 | 15.63 | -44.16 | 1 | 7 | 1 | 65 | 514.433 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.03 | 15.63 | -40.93 | 1 | 7 | 1 | 65 | 514.433 | 9 | ↓ |
Mid Mid (pH 6-8) | 5.03 | 15.11 | -14.12 | 0 | 7 | 0 | 63 | 513.425 | 9 | ↓ |