UCSF

ZINC38577126

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 No

Popular Name: (4R,7aR)-6-amino-3-methyl-4-[2-(trifluoromethyl)phenyl]-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonit (4R,7aR)-6-amino-3-methyl-4-[2-(…

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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) 2.62 0.58 -7.37 2 5 0 84 320.274 2 ↓
Lo Low (pH 4.5-6) 2.62 0.94 -47.5 3 5 1 85 321.282 2 ↓

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

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