UCSF

ZINC65531193

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-[(5-{2-chloro-5-nitrophenyl}-2-furyl)methylene]-6,7-dimethyl[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one 2-[(5-{2-chloro-5-nitrophenyl}-2…

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Other Names:

MFCD01051858

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) 0.78 6.5 -50.72 2 8 1 82 374.494 4 ↓
Hi High (pH 8-9.5) 0.78 4.32 -16.6 1 8 0 80 373.486 4 ↓
Lo Low (pH 4.5-6) 0.78 6.95 -78.41 3 8 2 83 375.502 4 ↓

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

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