UCSF

ZINC04450410

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 24 Yes

Popular Name: 2-[(1-methyl-2-oxopropyl)sulfanyl]-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 2-[(1-methyl-2-oxopropyl)sulfany…

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CAS Number: 626222-09-1

Other Names:

MFCD03784547

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) 4.48 3.84 -10.74 0 3 0 53 356.413 4 ↓

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