In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 34 | 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) | 1.08 | 5.12 | -57.96 | 0 | 10 | -1 | 123 | 461.454 | 5 | ↓ |
Ref Reference (pH 7) | 1.08 | 4.94 | -59.74 | 0 | 10 | -1 | 123 | 461.454 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.63 | 7.65 | -18.78 | 1 | 10 | 0 | 120 | 462.462 | 5 | ↓ |