UCSF

ZINC00686602

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 Yes

Popular Name: 2-({4-ethyl-5-[(2-isopropyl-5-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide 2-({4-ethyl-5-[(2-isopropyl-5-me…

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Other Names:

MFCD03864684

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) 3.78 11.34 -18.26 1 7 0 82 431.587 9 ↓
Hi High (pH 8-9.5) 3.97 10.12 -48.66 0 7 -1 88 430.579 9 ↓

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