UCSF

ZINC01384188

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: 3-[(3-fluorobenzyl)sulfanyl]-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-[(3-fluorobenzyl)sulfanyl]-1-(…

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CAS Number: 439096-94-3

Other Names:

MFCD03012114

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) 5.71 3.05 -7.92 0 2 0 36 374.484 4 ↓
Lo Low (pH 4.5-6) 5.71 3.25 -32.88 1 2 1 37 375.492 4 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 105 - 107 KeyOrganics

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Rings

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

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