UCSF

ZINC65314364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 30 Yes

Popular Name: 2-[[1-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]thiazol-5-yl]-methyl-amino]-N-(3-pyridylmethyl)aceta 2-[[1-(4-methoxyphenyl)-3-methyl…

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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) 2.47 8.73 -20.21 1 8 0 85 422.514 7 ↓
Lo Low (pH 4.5-6) 2.47 9.19 -54.22 2 8 1 86 423.522 7 ↓

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

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