UCSF

ZINC04501579

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 15 Yes

Popular Name: (4-Fluoro-benzyl)-pyridin-2-yl-amine 2hcl salt (4-Fluoro-benzyl)-pyridin-2-yl-a…

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CAS Numbers: 1692-02-0 , 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) 2.46 6.74 -32.43 2 2 1 26 203.24 3 ↓
Mid Mid (pH 6-8) 2.46 6.26 -5.57 1 2 0 25 202.232 3 ↓

Activity (Go SEA)

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