UCSF

ZINC02143463

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 30 Yes

Popular Name: 2-(4-methoxyphenyl)-N-{[4-methyl-5-({2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}acetamide 2-(4-methoxyphenyl)-N-{[4-methyl…

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Other Names:

MFCD03864702

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) 1.30 7.39 -23 2 9 0 111 446.558 9 ↓
Hi High (pH 8-9.5) 1.49 6.17 -52.65 1 9 -1 117 445.55 9 ↓

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