UCSF

ZINC04171501

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 No

Popular Name: 2-[4-allylamino-4-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)-butyl]isoindoline-1,3-dione 2-[4-allylamino-4-(4,4-dimethyl-…

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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) 3.50 9.01 -51.8 0 6 -1 92 393.463 7 ↓
Mid Mid (pH 6-8) 2.92 0.3 -35.67 1 6 1 87 395.479 7 ↓
Lo Low (pH 4.5-6) 2.96 9.83 -16.22 1 6 0 85 394.471 7 ↓

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

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