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) | 1.67 | 4.83 | -35.4 | 1 | 4 | 1 | 26 | 251.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 4.69 | -33.84 | 1 | 4 | 1 | 26 | 251.35 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.67 | 2.36 | -5.22 | 0 | 4 | 0 | 25 | 250.342 | 4 | ↓ |