UCSF

ZINC20898996

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 No

Popular Name: 5-[(5S)-1-acetyl-5-(4-isopropylphenyl)-4,5-dihydropyrazol-3-yl]-6-hydroxy-3-methyl-2-thioxo-1H-pyrim 5-[(5S)-1-acetyl-5-(4-isopropylp…

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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) 2.00 6.73 -47.19 1 7 -1 90 385.469 2 ↓
Lo Low (pH 4.5-6) 1.54 7.78 -14.23 2 7 0 87 386.477 2 ↓

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