UCSF

ZINC52834096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 27 No

Popular Name: 2-[2-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-dione 2-[2-[(7R)-5-oxo-7-phenyl-1,4-di…

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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) 2.38 6.27 -14.28 1 6 0 71 363.417 4 ↓
Mid Mid (pH 6-8) 2.38 7.98 -48.08 2 6 1 73 364.425 4 ↓

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

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