In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 36 | Yes |
None
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) | 7.65 | 19.56 | -38.89 | 1 | 2 | 1 | 8 | 475.7 | 10 | ↓ |
Mid Mid (pH 6-8) | 7.65 | 19.3 | -33.97 | 1 | 2 | 1 | 8 | 475.7 | 10 | ↓ |
Mid Mid (pH 6-8) | 7.65 | 17.31 | -4.54 | 0 | 2 | 0 | 6 | 474.692 | 10 | ↓ |