UCSF

ZINC03643587

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 12 No

Popular Name: 5-Nitrobenzo[d]isothiazole 5-Nitrobenzo[d]isothiazole

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CAS Numbers: 60768-66-3 , [60768-66-3]

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) 2.31 5.21 -6.28 0 4 0 59 180.188 1 ↓

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