UCSF

ZINC62526803

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 27 Yes

Popular Name: (3S,7aR)-2-[2-(3-methoxyphenyl)ethylsulfonyl]-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazole (3S,7aR)-2-[2-(3-methoxyphenyl)e…

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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) 3.40 8.94 -45.21 1 5 1 51 387.525 6 ↓
Mid Mid (pH 6-8) 3.40 6.52 -12.7 0 5 0 50 386.517 6 ↓

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

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