UCSF

ZINC28257684

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 26 No

Popular Name: N,N'-bis[(2-nitrophenyl)methyl]butane-1,4-diamine N,N'-bis[(2-nitrophenyl)methyl]b…

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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) 3.04 11.03 -111.65 4 8 2 125 360.414 11 ↓
Hi High (pH 8-9.5) 3.04 8.39 -15.23 2 8 0 116 358.398 11 ↓
Mid Mid (pH 6-8) 3.04 9.63 -47.62 3 8 1 120 359.406 11 ↓

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

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