In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 38 | 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) | 4.91 | 9.5 | -12.11 | 0 | 8 | 0 | 80 | 517.578 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.91 | 12.34 | -55.47 | 1 | 8 | 1 | 81 | 518.586 | 8 | ↓ |