UCSF

ZINC55010374

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 No

Popular Name: (4Z)-4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]methylene]isoquinoline-1,3-dione (4Z)-4-[[[(2R)-2-(dimethylamino)…

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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) 2.64 8.2 -71.37 3 5 1 66 354.405 5 ↓
Hi High (pH 8-9.5) 2.64 5.45 -15.68 2 5 0 65 353.397 5 ↓

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

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