UCSF

ZINC13570690

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 33 No

Popular Name: (4E,5S)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[hydroxy-(3-methoxyphenyl)methylene]-5-(2-thienyl)p (4E,5S)-1-(4,6-dimethyl-1,3-benz…

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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) 5.37 11.29 -65.64 0 6 -1 83 475.571 5 ↓
Mid Mid (pH 6-8) 5.81 10.85 -25.43 1 6 0 80 476.579 4 ↓
Mid Mid (pH 6-8) 4.78 11.44 -16.68 0 6 0 77 476.579 5 ↓

Activity (Go SEA)

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