UCSF

ZINC17167005

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 29 No

Popular Name: 5-(3-allyl-5-ethoxy-4-hydroxybenzylidene)-2-[(5-chloro-2-methylphenyl)imino]-1,3-thiazolidin-4-one 5-(3-allyl-5-ethoxy-4-hydroxyben…

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Other Names:

MFCD02953644

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) 6.39 9.21 -8.93 2 5 0 75 428.941 6 ↓
Ref Reference (pH 7) 6.39 9.53 -9.36 2 5 0 75 428.941 6 ↓
Hi High (pH 8-9.5) 6.85 7.19 -46.18 1 5 -1 78 427.933 6 ↓
Hi High (pH 8-9.5) 6.85 7.74 -46.38 1 5 -1 78 427.933 6 ↓

Activity (Go SEA)

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