UCSF

ZINC21989258

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

Popular Name: (R)-2-AMINO-3-(BENZYLAMINO)PROPANOIC ACID (R)-2-AMINO-3-(BENZYLAMINO)PROPA…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 119830-32-9 , 119906-14-8 , 1786218-27-6 , [119906-14-8]

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) -1.85 2.35 -52.98 4 4 0 83 194.234 5 ↓
Hi High (pH 8-9.5) -1.85 2.68 -99.49 5 4 1 84 195.242 5 ↓
Mid Mid (pH 6-8) -1.85 1.39 -40.1 4 4 0 80 194.234 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem

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