In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2010 | 18 | 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) | 1.90 | 3.71 | -45.28 | 0 | 5 | -1 | 64 | 282.37 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 3.91 | -13.04 | 1 | 5 | 0 | 66 | 283.378 | 3 | ↓ |