UCSF

ZINC33829202

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 15 No

Popular Name: 2-(Chloromethyl)-1-methyl-4-phenylpiperidine hydrochloride; LS-114807; Piperidine, 2-(chloromethyl)-1-methyl-4-phenyl-, hydrochloride 2-(Chloromethyl)-1-methyl-4-phen…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.41 8.85 -39.67 1 1 1 4 224.755 2 ↓
Hi High (pH 8-9.5) 3.41 6.57 -2.15 0 1 0 3 223.747 2 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.