In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2011 | 23 | 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) | -0.02 | 4.01 | -37.4 | 2 | 8 | 1 | 92 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 4.07 | -37.22 | 2 | 8 | 1 | 92 | 317.373 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.02 | 3.89 | -13.62 | 1 | 8 | 0 | 91 | 316.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.