In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 31 | 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) | 4.01 | 6.07 | -9.28 | 0 | 6 | 0 | 55 | 461.345 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 8.34 | -46.14 | 1 | 6 | 1 | 56 | 462.353 | 4 | ↓ |