UCSF

ZINC52900132

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 26 Yes

Popular Name: [4-[(6-chloro-3-pyridyl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone [4-[(6-chloro-3-pyridyl)methyl]p…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 2.85 7.23 -13.34 0 4 0 36 383.801 4 ↓
Lo Low (pH 4.5-6) 2.85 9.44 -60.38 1 4 1 38 384.809 4 ↓

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

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