UCSF

ZINC65539604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 No

Popular Name: 4,5-dimethyl-2-[[4-[(2-methyl-3-nitro-phenyl)methyl]piperazin-1-yl]methyl]oxazole 4,5-dimethyl-2-[[4-[(2-methyl-3-…

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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) 2.31 7.31 -45.88 1 7 1 80 345.423 5 ↓
Mid Mid (pH 6-8) 2.31 5.05 -11.76 0 7 0 78 344.415 5 ↓
Mid Mid (pH 6-8) 2.31 6.83 -52.54 1 7 1 80 345.423 5 ↓

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

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