UCSF

ZINC49389504

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 No

Popular Name: 3-[[methyl-[(4-nitrophenyl)methyl]amino]methyl]thiazolidine-2,4-dione 3-[[methyl-[(4-nitrophenyl)methy…

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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) 1.29 5.01 -11.09 0 7 0 86 295.32 5 ↓
Lo Low (pH 4.5-6) 1.29 7.43 -52.62 1 7 1 88 296.328 5 ↓

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

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