UCSF

ZINC02141258

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 14 Yes

Popular Name: 3-(1,3-benzothiazol-2-ylthio)propanenitrile 3-(1,3-benzothiazol-2-ylthio)pro…

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CAS Number: 25176-72-1

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) 2.55 0.1 -12.45 0 2 0 37 220.322 3 ↓

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