UCSF

ZINC39490476

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 27 No

Popular Name: 5-[[(3aS)-3-(3,4-difluorophenyl)-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-2,1,3-benzox 5-[[(3aS)-3-(3,4-difluorophenyl)…

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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) 3.74 6.51 -24.64 0 6 0 67 367.359 3 ↓
Mid Mid (pH 6-8) 3.74 8.66 -92.02 1 6 1 68 368.367 3 ↓

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

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