UCSF

ZINC22670352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 38 Yes

Popular Name: 2-[[4-(2-tert-butyl-5-methyl-pyrazole-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-tert-butylphenyl)metho 2-[[4-(2-tert-butyl-5-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) 4.18 12.21 -18.84 0 8 0 81 520.674 8 ↓
Mid Mid (pH 6-8) 4.18 14.54 -68.8 1 8 1 82 521.682 8 ↓

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

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