In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 35 | 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) | 5.41 | 13.5 | -11.34 | 4 | 8 | 0 | 105 | 472.593 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.41 | 13.03 | -33.99 | 5 | 8 | 1 | 107 | 473.601 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.41 | 13.08 | -33.93 | 5 | 8 | 1 | 107 | 473.601 | 6 | ↓ |