UCSF

ZINC38539772

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Substance Information

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

Popular Name: 1-(3,4-Dichloro-benzyl)-piperidin-3-ylamine hydrochloride 1-(3,4-Dichloro-benzyl)-piperidi…

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CAS Numbers: 1289387-48-9 , 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) 2.29 4.23 -46.06 3 2 1 31 260.188 2 ↓
Mid Mid (pH 6-8) 2.29 6.45 -124.11 4 2 2 32 261.196 2 ↓
Lo Low (pH 4.5-6) 2.29 6.13 -40.3 3 2 1 30 260.188 2 ↓

Activity (Go SEA)

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