UCSF

ZINC57918580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 Yes

Popular Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[4-(2,2-difluoroethyl)piperazin-1-yl]propanamide N-(3-cyano-4,5,6,7-tetrahydroben…

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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) 2.52 8.02 -47.17 2 5 1 61 383.488 6 ↓
Mid Mid (pH 6-8) 2.52 5.75 -10.14 1 5 0 59 382.48 6 ↓

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

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