UCSF

ZINC69813797

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 No

Popular Name: (3S,7aR)-N-[2-(dimethylaminomethyl)-4-methyl-phenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b (3S,7aR)-N-[2-(dimethylaminometh…

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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) 1.84 8.83 -50.52 2 5 1 54 348.492 4 ↓
Hi High (pH 8-9.5) 1.84 6.48 -15.39 1 5 0 53 347.484 4 ↓

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

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