In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 14th, 2011 | 24 | Yes |
Popular Name: 2-[[(3S)-2-oxoazepan-3-yl]sulfamoyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-[[(3S)-2-oxoazepan-3-yl]sulfam…
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) | 0.22 | 1.07 | -93.2 | 4 | 8 | 0 | 132 | 373.456 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.22 | -0.29 | -66.96 | 3 | 8 | -1 | 127 | 372.448 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.