UCSF

ZINC57918299

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 Yes

Popular Name: 2-[[2-[4-(2,2-difluoroethyl)piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-car 2-[[2-[4-(2,2-difluoroethyl)pipe…

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Physical Representations

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) 1.16 0.98 -15.17 3 6 0 79 372.441 6 ↓
Lo Low (pH 4.5-6) 1.16 3.12 -44.65 4 6 1 80 373.449 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.