UCSF

ZINC72480041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2012 29 Yes

Popular Name: (3aR,6aS)-5-methyl-2-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3, (3aR,6aS)-5-methyl-2-[[3-(m-toly…

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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) 4.43 13.93 -45.69 1 4 1 26 387.551 4 ↓
Lo Low (pH 4.5-6) 4.43 14.91 -109.37 2 4 2 27 388.559 4 ↓

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

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