UCSF

ZINC40767111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 27 Yes

Popular Name: (4S,8R,9aR)-1,4-dibenzyl-8-hydroxy-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,3,5]triazepine-2,5-dione (4S,8R,9aR)-1,4-dibenzyl-8-hydro…

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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) 2.41 5.69 -10.78 2 6 0 73 365.433 4 ↓

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

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