UCSF

ZINC42094655

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 27 No

Popular Name: 2-[[methyl(3-phenoxypropyl)amino]methyl]-5-nitro-isoindoline-1,3-dione 2-[[methyl(3-phenoxypropyl)amino…

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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) 3.43 8.01 -11.23 0 8 0 97 369.377 8 ↓
Mid Mid (pH 6-8) 3.43 10.43 -47.92 1 8 1 99 370.385 8 ↓

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

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