UCSF

ZINC39274774

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 5.76 -127.15 0 4 -2 80 168.148 2 ↓
Mid Mid (pH 6-8) 0.22 3.8 -54.39 1 4 -1 77 169.156 2 ↓
Lo Low (pH 4.5-6) 0.22 4.13 -50.83 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% )