In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 33 | No |
None
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) | 5.65 | 9.25 | -8.39 | 0 | 6 | 0 | 61 | 512.4 | 2 | ↓ |
Mid Mid (pH 6-8) | 5.65 | 12.24 | -44.17 | 1 | 6 | 1 | 62 | 513.408 | 2 | ↓ |