UCSF

ZINC22658175

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 35 Yes

Popular Name: 2-[[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)piperazin-1-yl]methyl]-5-[(2-chlorophenyl)methoxy]p 2-[[4-(5-tert-butyl-2-methyl-pyr…

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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) 3.64 10.43 -17.63 0 8 0 81 499.011 7 ↓
Mid Mid (pH 6-8) 3.64 12.77 -67.3 1 8 1 82 500.019 7 ↓

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

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