UCSF

ZINC18155466

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 27 No

Popular Name: 2-[4-(1-azepanylcarbonyl)phenyl]-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-[4-(1-azepanylcarbonyl)phenyl]…

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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) 3.13 10.79 -12.34 0 5 0 58 366.461 2 ↓
Ref Reference (pH 7) 3.13 10.74 -12.27 0 5 0 58 366.461 2 ↓
Ref Reference (pH 7) 3.13 10.74 -10.65 0 5 0 58 366.461 2 ↓

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

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