UCSF

ZINC06051068

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 29 Yes

Popular Name: N-[[4-(butylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide N-[[4-(butylcarbamoylmethyl)thia…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.77 7.64 -25.27 2 7 0 91 416.547 10 ↓
Hi High (pH 8-9.5) 2.58 6.33 -63.68 1 7 -1 98 415.539 10 ↓

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

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