UCSF

ZINC04773483

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 14 Yes

Popular Name: Benzoic acid, 3-amino-4-(1,1-dimethylethyl)- (9CI) Benzoic acid, 3-amino-4-(1,1-dim…

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CAS Number: 196394-09-9

Other Names:

MFCD00157002

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) 2.97 0.46 -52.76 2 3 -1 66 192.238 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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