UCSF

ZINC00062059

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 17 Yes

Popular Name: 2-[(3-carboxypropanoyl)amino]benzoic acid 2-[(3-carboxypropanoyl)amino]ben…

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CAS Number: 5694-37-1

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) 0.95 3.97 -102.98 1 6 -2 109 235.195 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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