UCSF

ZINC65527664

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 26 Yes

Popular Name: 2-[(3aS,4S,6S,6aR)-2-ethyl-6-(hydroxymethyl)-6-phenyl-1,3,3a,4,5,6a-hexahydropyrrolo[3,4-c]pyrrol-4- 2-[(3aS,4S,6S,6aR)-2-ethyl-6-(hy…

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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) 3.65 4.63 -42.11 4 4 1 57 357.449 4 ↓
Hi High (pH 8-9.5) 3.65 2.15 -5.85 3 4 0 56 356.441 4 ↓

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

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