UCSF

ZINC01723440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 4-(allylamino)benzoic acid 4-(allylamino)benzoic acid

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CAS Number: 53624-18-3

Other Names:

MFCD02252822

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) 2.35 5.21 -50.83 1 3 -1 52 176.195 4 ↓
Lo Low (pH 4.5-6) 2.35 3.24 -6.55 2 3 0 49 177.203 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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