UCSF

ZINC55006703

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4E)-4-[[[1-(2-pyridyl)-4-piperidyl]amino]methylene]isoquinoline-1,3-dione (4E)-4-[[[1-(2-pyridyl)-4-piperi…

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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) 2.08 7.72 -47.97 3 6 1 79 349.414 3 ↓
Mid Mid (pH 6-8) 2.08 7.19 -18.13 2 6 0 78 348.406 3 ↓

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

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