UCSF

ZINC04549837

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 22 Yes

Popular Name: 4-[(4-bromophenyl)-(3-hydroxy-5-methyl-2H-pyrazol-4-yl)-methyl]-5-methyl-2H-pyrazol-3-ol 4-[(4-bromophenyl)-(3-hydroxy-5-…

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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) 2.32 0.21 -21.26 4 6 0 98 363.215 3 ↓
Hi High (pH 8-9.5) 2.78 0.01 -127.31 2 6 -2 103 361.199 3 ↓
Mid Mid (pH 6-8) 2.78 -1.91 -9.99 4 6 0 98 363.215 3 ↓

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

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