UCSF

ZINC60474011

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 21 Yes

Popular Name: N-methyl-2-(4-pyridyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine N-methyl-2-(4-pyridyl)-N-[[4-(tr…

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Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.15 7.74 -5.6 0 2 0 16 294.32 6 ↓
Mid Mid (pH 6-8) 3.15 8.2 -35.53 1 2 1 17 295.328 6 ↓

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

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