UCSF

ZINC31983994

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 26 No

Popular Name: 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(4-(2-(4-morpholinyl)ethoxy)phenyl)-, monohydrochloride; 4,5,6,7-Tetrahydro-2-(4-(2-(4-morpholinyl)ethoxy)phenyl)-1H-isoindole-1,3(2H)-dione HCl; LS-84652 1H-Isoindole-1,3(2H)-dione, 4,5,…

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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) 2.29 6.24 -11.03 0 6 0 61 356.422 5 ↓
Mid Mid (pH 6-8) 2.29 8.54 -41.19 1 6 1 62 357.43 5 ↓

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