UCSF

ZINC55007206

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 24 No

Popular Name: (4E)-4-[(4-morpholinobutylamino)methylene]isoquinoline-1,3-dione (4E)-4-[(4-morpholinobutylamino)…

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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) 1.28 3.3 -15.4 2 6 0 74 329.4 6 ↓
Mid Mid (pH 6-8) 1.28 5.38 -53 3 6 1 76 330.408 6 ↓
Mid Mid (pH 6-8) 1.28 5.56 -57.89 3 6 1 76 330.408 6 ↓

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

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