UCSF

ZINC37206047

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (1S)-1-(7-chloro-1,3-benzothiazol-2-yl)-2-(1H-imidazol-4-yl)ethanamine (1S)-1-(7-chloro-1,3-benzothiazo…

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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) 0.25 4.13 -9.52 3 4 0 68 278.768 3 ↓
Mid Mid (pH 6-8) 0.25 4.47 -45.23 4 4 1 69 279.776 3 ↓
Mid Mid (pH 6-8) 0.25 4.67 -40.49 4 4 1 69 279.776 3 ↓
Mid Mid (pH 6-8) 0.25 5.04 -110.79 5 4 2 70 280.784 3 ↓

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Rings

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

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