In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 11th, 2011 | 24 | Yes |
Popular Name: 2-(4-acetylpiperazin-1-yl)sulfonyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic 2-(4-acetylpiperazin-1-yl)sulfon…
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) | -0.28 | 3.72 | -96.02 | 2 | 8 | 0 | 114 | 373.456 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.28 | 2.37 | -70.03 | 1 | 8 | -1 | 110 | 372.448 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.