UCSF

ZINC64972628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 33 Yes

Popular Name: N-[2-methyl-5-[3-(N-methylanilino)propylcarbamoyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[2-methyl-5-[3-(N-methylanilin…

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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) 5.07 10.9 -18.07 2 6 0 74 458.587 8 ↓
Lo Low (pH 4.5-6) 5.07 11.33 -104.41 3 6 0 76 459.595 8 ↓

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

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