UCSF

ZINC02129165

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Substance Information

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

Popular Name: 2-({4-allyl-5-[3-(2,4-dichlorophenoxy)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide 2-({4-allyl-5-[3-(2,4-dichloroph…

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Other Names:

MFCD03691263

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) 4.40 11.7 -21.29 1 7 0 82 484.434 11 ↓
Hi High (pH 8-9.5) 4.59 10.48 -52.52 0 7 -1 88 483.426 11 ↓

Activity (Go SEA)

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