In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 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 | 5.26 | -38.5 | 1 | 4 | 1 | 26 | 249.334 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 5.27 | -41.04 | 1 | 4 | 1 | 26 | 249.334 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 2.95 | -5.57 | 0 | 4 | 0 | 25 | 248.326 | 3 | ↓ |