UCSF

ZINC62526939

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 22 No

Popular Name: 1-[(3S,7aS)-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[2,1-e]imidazol-2-yl]-3-methylsulfonyl-propan-1-on 1-[(3S,7aS)-3-phenyl-1,3,5,6,7,7…

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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) 1.19 5.68 -44.97 1 5 1 59 323.438 4 ↓
Mid Mid (pH 6-8) 1.19 3.08 -14.93 0 5 0 58 322.43 4 ↓

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

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