UCSF

ZINC49917544

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 48 No

Popular Name: 1-[[3-[3-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]phenyl]methyl]-1-(1-benzyl-4-piperidyl)-3-p 1-[[3-[3-[(1,3-benzodioxol-5-ylm…

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) 7.50 21.16 -116 4 7 2 72 640.828 11 ↓
Hi High (pH 8-9.5) 7.50 19.8 -62.44 3 7 1 67 639.82 11 ↓

Activity (Go SEA)

Rings

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

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