UCSF

ZINC95933572

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2014 13 Yes

Popular Name: 2-(2-Amino-5-methoxyphenyl)acetic acid 2-(2-Amino-5-methoxyphenyl)aceti…

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CAS Number: 38367-42-9

Other Names:

N/A

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) 0.83 3.08 -46.94 2 4 -1 75 180.183 3 ↓
Lo Low (pH 4.5-6) 0.83 2.96 -48.4 3 4 0 77 181.191 3 ↓

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

No pre-computed analogs available. Try a structural similarity search.