UCSF

ZINC19968391

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 Yes

Popular Name: (S)-1-(3,4-Difluorophenyl)propan-1-amine hydrochloride (S)-1-(3,4-Difluorophenyl)propan…

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CAS Numbers: 1785760-88-4 , 441074-78-8 , 847448-32-2 , 847448-46-8 , [847448-32-2 ]

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) 0.56 4.14 -54.4 3 1 1 28 172.198 2 ↓
Hi High (pH 8-9.5) 0.56 3.83 -4.51 2 1 0 26 171.19 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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