In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 24th, 2009 | 21 | Yes |
Popular Name: N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)cyclohexanesulfonamide N-(3-cyano-4,5,6,7-tetrahydrothi…
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) | 2.31 | 4.45 | -61.23 | 2 | 5 | 0 | 89 | 325.459 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.08 | -40.64 | 1 | 5 | -1 | 84 | 324.451 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 4.21 | -59.76 | 3 | 5 | 1 | 87 | 326.467 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.