UCSF

ZINC69808825

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 24 Yes

Popular Name: [1-[[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]methyl]-4-piperidyl]methanol [1-[[4-[[4-(hydroxymethyl)-1-pip…

Find On: PubMed — Wikipedia — Google

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) 1.83 6.62 -87.61 4 4 2 49 334.504 6 ↓
Hi High (pH 8-9.5) 1.83 4.39 -38.39 3 4 1 48 333.496 6 ↓

Activity (Go SEA)

Rings

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