In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2011 | 24 | Yes |
Popular Name: 2-(3-imidazol-1-ylpropylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-(3-imidazol-1-ylpropylsulfamoy…
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) | 0.17 | 5.07 | -98.57 | 3 | 8 | 0 | 121 | 370.456 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.17 | 3.73 | -70.32 | 2 | 8 | -1 | 116 | 369.448 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.17 | 5.59 | -126.22 | 4 | 8 | 1 | 122 | 371.464 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.