UCSF

ZINC05860099

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 22 Yes

Popular Name: N-(2,3-dimethylphenyl)-4-pentylcyclohexanecarboxamide N-(2,3-dimethylphenyl)-4-pentylc…

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CAS Number: 866137-29-3

Other Names:

MFCD03305834

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) 6.23 1.69 -7.71 1 2 0 29 301.474 6 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 166 - 168 KeyOrganics

Activity (Go SEA)

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