UCSF

ZINC67491417

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 23 Yes

Popular Name: (3aR,6aR)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-methylsulfonyl-1,2,3,3a,4,6-hexahydropyrro (3aR,6aR)-N-methyl-N-[(5-methyl-…

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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) -0.74 -0.07 -59.64 3 8 1 103 342.445 4 ↓
Hi High (pH 8-9.5) -0.74 -1.51 -15.3 2 8 0 98 341.437 4 ↓

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

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