UCSF

ZINC01384191

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 26 Yes

Popular Name: 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetamide 2-({1-[4-(tert-butyl)phenyl]-4-c…

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CAS Number: 861209-37-2

Other Names:

MFCD03305578

Download: MOL2 SDF SMILES Flexibase

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) 4.02 -0.33 -12.69 2 4 0 79 365.502 5 ↓
Lo Low (pH 4.5-6) 4.02 -0.16 -40.06 3 4 1 81 366.51 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 232 - 234 KeyOrganics

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Rings

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

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