UCSF

ZINC01379139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 27 Yes

Popular Name: 2-[[2-[(Z)-[4-(4-chlorophenyl)-4-thiazolin-2-ylidene]amino]-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyri 2-[[2-[(Z)-[4-(4-chlorophenyl)-4…

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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) 4.43 8.39 -15.95 2 6 0 88 420.947 6 ↓
Hi High (pH 8-9.5) 4.61 7.32 -38.85 1 6 -1 94 419.939 6 ↓
Mid Mid (pH 6-8) 4.43 7.8 -21.91 2 6 0 88 420.947 6 ↓
Mid Mid (pH 6-8) 4.88 6.48 -47.37 1 6 -1 91 419.939 6 ↓

Activity (Go SEA)

Rings

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

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