In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | Yes |
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) | 4.26 | 9.26 | -14.07 | 0 | 7 | 0 | 82 | 453.878 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.26 | 12.14 | -47.72 | 1 | 7 | 1 | 83 | 454.886 | 5 | ↓ |