UCSF

ZINC65492329

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 No

Popular Name: (3aS)-2-[(2S)-5-tert-butyl-2H-benzimidazol-2-yl]-5-methyl-1,3a,4,6,7,8-hexahydropyrazolo[1,5-a][1,4] (3aS)-2-[(2S)-5-tert-butyl-2H-be…

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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) 3.88 6.55 -171.84 4 5 3 48 328.484 2 ↓
Hi High (pH 8-9.5) 3.88 4.45 -104.17 3 5 2 46 327.476 2 ↓

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

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