UCSF

ZINC43608297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 20 Yes

Popular Name: 1-[4-(azepan-1-ylmethyl)thiazol-2-yl]-3-cyclopropyl-urea 1-[4-(azepan-1-ylmethyl)thiazol-…

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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) 2.32 6.28 -36.42 3 5 1 58 295.432 4 ↓
Hi High (pH 8-9.5) 2.32 4.35 -7.59 2 5 0 57 294.424 4 ↓

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

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