In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2008 | 21 | 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) | 3.80 | 9.73 | -35.1 | 1 | 2 | 1 | 8 | 281.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 9.75 | -37.69 | 1 | 2 | 1 | 8 | 281.423 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.80 | 7.36 | -3.54 | 0 | 2 | 0 | 6 | 280.415 | 4 | ↓ |