In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2010 | 20 | Yes |
Popular Name: N-(2-imidazol-1-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide N-(2-imidazol-1-ylethyl)-5,6,7,8…
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) | 2.39 | 8.82 | -39.76 | 2 | 4 | 1 | 48 | 290.412 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.39 | 8.3 | -13.72 | 1 | 4 | 0 | 47 | 289.404 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.