UCSF

ZINC34596028

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 11 Yes

Popular Name: (S)-1-(3-Chloro-4-methylphenyl)ethanamine hydrochloride (S)-1-(3-Chloro-4-methylphenyl)e…

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CAS Numbers: 1213460-65-1 , 856758-59-3 , [1213460-65-1]

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) 0.86 4.35 -43.46 3 1 1 28 170.663 1 ↓
Hi High (pH 8-9.5) 0.86 4.03 -2.72 2 1 0 26 169.655 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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