UCSF

ZINC37239374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 Yes

Popular Name: (1S)-1-(1,3-benzothiazol-2-yl)-2-(4-bromo-2-thienyl)ethanamine (1S)-1-(1,3-benzothiazol-2-yl)-2…

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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) 2.03 6.25 -45.28 3 2 1 41 340.291 3 ↓
Mid Mid (pH 6-8) 2.03 5.9 -7.17 2 2 0 39 339.283 3 ↓

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

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