In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 27th, 2006 | 30 | No |
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) | 2.79 | 7.09 | -13.55 | 1 | 7 | 0 | 89 | 411.454 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 7.82 | -17.95 | 0 | 7 | 0 | 86 | 411.454 | 10 | ↓ |