In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 21 | Yes |
Popular Name: N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide N-(3-cyano-5,6-dihydro-4H-cyclop…
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) | 1.58 | 3.77 | -41.09 | 1 | 6 | -1 | 101 | 321.407 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.58 | 3.36 | -11.39 | 2 | 6 | 0 | 99 | 322.415 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.