UCSF

ZINC02083482

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 37 No

Popular Name: dimethyl 5-{2,5-dimethyl-3-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetyl]-1H-pyrrol-1-yl}isophthalate dimethyl 5-{2,5-dimethyl-3-[([1,…

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Other Names:

MFCD02329634

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) 5.39 4.45 -18.93 0 9 0 104 534.619 9 ↓

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

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