UCSF

ZINC38539946

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 Yes

Popular Name: 1-(2-Chloro-6-fluoro-benzyl)-piperidin-3-ylamine hydrochloride 1-(2-Chloro-6-fluoro-benzyl)-pip…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1289387-66-1 , 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) 1.75 3.48 -42.1 3 2 1 31 243.733 2 ↓
Mid Mid (pH 6-8) 1.75 5.71 -106.55 4 2 2 32 244.741 2 ↓
Lo Low (pH 4.5-6) 1.75 5.39 -27.31 3 2 1 30 243.733 2 ↓

Activity (Go SEA)

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