UCSF

ZINC54697796

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 18 Yes

Popular Name: (2S,3aS,7aS)-2-(5-isopropyl-2-methyl-1,2,4-triazol-3-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole (2S,3aS,7aS)-2-(5-isopropyl-2-me…

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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) 2.35 7.07 -41.4 2 4 1 47 249.382 2 ↓
Hi High (pH 8-9.5) 2.35 5.72 -8.21 1 4 0 43 248.374 2 ↓

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

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