UCSF

ZINC55089756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 Yes

Popular Name: 4-(4-ethoxy-3-methyl-phenyl)-4-oxo-N-[2-(1H-triazol-5-ylsulfanyl)ethyl]butanamide 4-(4-ethoxy-3-methyl-phenyl)-4-o…

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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) 2.11 5.22 -11.71 2 7 0 97 362.455 10 ↓
Hi High (pH 8-9.5) 2.11 5.21 -41.91 1 7 -1 95 361.447 10 ↓

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

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