UCSF

ZINC02583984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 Yes

Popular Name: (S)-Methyl 2-(benzylamino)-3-methylbutanoate hydrochloride (S)-Methyl 2-(benzylamino)-3-met…

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CAS Numbers: 177721-72-1 , [177721-72-1]

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) 2.47 7.41 -36.18 2 3 1 43 222.308 6 ↓
Mid Mid (pH 6-8) 2.47 6.18 -5.13 1 3 0 38 221.3 6 ↓

Vendor Notes

Note Type Comments Provided By
MP 166-168o C Indofine
Purity 95% Fluorochem

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