In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 33 | 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) | 3.23 | 7.93 | -20.35 | 5 | 9 | 0 | 126 | 448.527 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 8.57 | -34.43 | 6 | 9 | 1 | 127 | 449.535 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 7.57 | -33.56 | 6 | 9 | 1 | 127 | 449.535 | 8 | ↓ |