UCSF

ZINC55007941

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 27 No

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

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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) 1.51 7.88 -60.22 3 6 1 79 363.441 4 ↓
Hi High (pH 8-9.5) 1.51 5.42 -15.84 2 6 0 78 362.433 4 ↓
Hi High (pH 8-9.5) 1.51 5.6 -14.56 2 6 0 78 362.433 4 ↓

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

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