UCSF

ZINC65497408

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 26 Yes

Popular Name: 4-[[(3-ethylisoxazol-5-yl)methyl-methyl-amino]methyl]-N-(1-methylimidazol-2-yl)benzamide 4-[[(3-ethylisoxazol-5-yl)methyl…

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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) 2.10 8.79 -18.86 1 7 0 79 353.426 6 ↓
Mid Mid (pH 6-8) 2.10 11.14 -57.82 2 7 1 81 354.434 6 ↓

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

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