UCSF

ZINC39274776

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 12 Yes

Popular Name: (1R,2S)-cyclohex-3-ene-1,2-dicarboxylic (1R,2S)-cyclohex-3-ene-1,2-dicar…

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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) 0.22 6.26 -128.75 0 4 -2 80 168.148 2 ↓
Mid Mid (pH 6-8) 0.22 4.07 -52.69 1 4 -1 77 169.156 2 ↓
Lo Low (pH 4.5-6) 0.22 4.04 -53.12 1 4 -1 77 169.156 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0343999A1; US4855332 IBM Patent Data

Activity (Go SEA)

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