UCSF

ZINC41120790

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 31 No

Popular Name: (E)-methyl 4-(5-(3-(benzo[d]thiazol-2-ylamino)-2-cyano-3-oxoprop-1-en-1-yl)furan-2-yl)benzoate (E)-methyl 4-(5-(3-(benzo[d]thia…

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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) 5.10 10 -53.98 0 7 -1 112 428.449 6 ↓
Mid Mid (pH 6-8) 4.92 11.68 -18.23 1 7 0 105 429.457 6 ↓

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

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