UCSF

ZINC00074762

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 14 No

Popular Name: 4-(2-carboxyvinyl)benzoic acid 4-(2-carboxyvinyl)benzoic acid

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CAS Numbers: 19675-63-9 , [19675-63-9]

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) 1.82 4.98 -98.03 0 4 -2 80 190.154 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.24e-01 g/l DrugBank-experimental
Melting_Point >300? Alfa-Aesar
MP >300o C Indofine
Melting_Point >300° Alfa-Aesar
MP >300°C Indofine

Activity (Go SEA)

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