UCSF

ZINC00266110

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 18 Yes

Popular Name: 3-amino-3-(4-isopropoxy-3-methoxyphenyl)propanoic acid 3-amino-3-(4-isopropoxy-3-methox…

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CAS Numbers: , 554402-59-4

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) -0.67 -1.06 -46.25 3 5 0 86 253.298 6 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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