UCSF

ZINC17995580

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 30 No

Popular Name: N-[[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]amino]-N'-(p-tolyl)-1,3-benzothiazole-2- N-[[(E)-(3-methoxy-4-oxo-1-cyclo…

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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) 3.25 12.1 -42.45 1 6 -1 78 415.498 6 ↓
Lo Low (pH 4.5-6) 3.25 12.46 -56.76 3 6 1 77 417.514 6 ↓
Lo Low (pH 4.5-6) 3.25 12.66 -24.61 2 6 0 76 416.506 6 ↓

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

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