UCSF

ZINC07277445

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 30 Yes

Popular Name: 4-[(4-dimethylaminophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-methyl]-5-methyl-2-phenyl-1H-pyr 4-[(4-dimethylaminophenyl)-(3-me…

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Annotations

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Vendors

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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) 2.96 6.76 -22.19 3 7 0 90 403.486 5 ↓
Mid Mid (pH 6-8) 3.41 3.89 -10.86 3 7 0 90 403.486 5 ↓
Lo Low (pH 4.5-6) 3.41 4.64 -21.79 4 7 0 91 404.494 5 ↓
Lo Low (pH 4.5-6) 2.96 7.5 -31.81 4 7 0 91 404.494 5 ↓

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