UCSF

ZINC62952431

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 21 Yes

Popular Name: (2R)-2-(4-ethyl-4-methyl-1-piperidyl)-2-[5-[(1S,2S)-2-methylcyclopropyl]-2-furyl]ethanamine (2R)-2-(4-ethyl-4-methyl-1-piper…

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) 3.08 8.85 -118.81 4 3 2 45 292.467 5 ↓
Mid Mid (pH 6-8) 3.08 7.08 -44.31 3 3 1 44 291.459 5 ↓
Mid Mid (pH 6-8) 3.08 8.48 -32.23 3 3 1 44 291.459 5 ↓

Activity (Go SEA)

Rings

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

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