In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 37 | Yes |
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) | 4.00 | 10.59 | -12.78 | 0 | 8 | 0 | 81 | 506.599 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.00 | 12.86 | -49.09 | 1 | 8 | 1 | 83 | 507.607 | 9 | ↓ |