UCSF

ZINC31351174

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 31 No

Popular Name: 3-[2-[(E,3E)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methyl-prop-1-enyl]-1,3-benzothiazol-3-ium-3-y 3-[2-[(E,3E)-3-(3-ethyl-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) 0.04 11.59 -45.38 0 5 0 66 472.657 7 ↓
Mid Mid (pH 6-8) 0.04 11.27 -47.82 0 5 0 66 472.657 7 ↓
Mid Mid (pH 6-8) 0.04 11.6 -44.38 0 5 0 66 472.657 7 ↓

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