In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 28 | 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) | 0.53 | 4.87 | -15.7 | 2 | 8 | 0 | 123 | 393.476 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 7.22 | -56.89 | 3 | 8 | 1 | 124 | 394.484 | 4 | ↓ |