UCSF

ZINC38595406

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 20 No

Popular Name: (1S,2R,4R)-1,2-bis[[(2R)-oxiran-2-yl]methyl]cyclohexane-1,4-dicarboxylic (1S,2R,4R)-1,2-bis[[(2R)-oxiran-…

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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) 0.50 4.53 -104.17 0 6 -2 105 282.292 6 ↓
Lo Low (pH 4.5-6) 0.50 2.51 -46.25 1 6 -1 102 283.3 6 ↓

Activity (Go SEA)

Rings

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