UCSF

ZINC37205937

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-(5-bromo-1,3-benzothiazol-2-yl)-2-(1H-imidazol-4-yl)ethanamine (1S)-1-(5-bromo-1,3-benzothiazol…

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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) 0.41 4.3 -9.47 3 4 0 68 323.219 3 ↓
Mid Mid (pH 6-8) 0.41 4.58 -48.95 4 4 1 69 324.227 3 ↓
Mid Mid (pH 6-8) 0.41 4.78 -37.64 4 4 1 69 324.227 3 ↓
Mid Mid (pH 6-8) 0.41 5.15 -115.22 5 4 2 70 325.235 3 ↓

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Rings

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

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