In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 10th, 2010 | 12 | No |
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) | 1.54 | 3.29 | -41.11 | 0 | 5 | -1 | 93 | 163.112 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.54 | 2.52 | -15.69 | 1 | 5 | 0 | 90 | 164.12 | 1 | ↓ |