UCSF

ZINC57913017

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Substance Information

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

Popular Name: (2S)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]pr (2S)-N-(3-cyano-5,6-dihydro-4H-c…

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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) 2.06 5.1 -9.58 1 5 0 59 368.453 5 ↓
Lo Low (pH 4.5-6) 2.06 7.22 -43.3 2 5 1 61 369.461 5 ↓

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

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