UCSF

ZINC55006397

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Substance Information

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

Popular Name: (4Z)-4-[[[(2S)-2-(azepan-1-yl)propyl]amino]methylene]isoquinoline-1,3-dione (4Z)-4-[[[(2S)-2-(azepan-1-yl)pr…

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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 7.36 -48.3 3 5 1 66 328.436 4 ↓

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

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