UCSF

ZINC55120511

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 Yes

Popular Name: 2-[[4-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]piperazin-1-yl]methyl]benzonit 2-[[4-[[(1S,9aR)-2,3,4,6,7,8,9,9…

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) 3.04 11.41 -101.6 2 4 2 36 354.542 4 ↓
Hi High (pH 8-9.5) 3.04 7.46 -5.83 0 4 0 34 352.526 4 ↓
Mid Mid (pH 6-8) 3.04 11.72 -82.94 2 4 2 36 354.542 4 ↓
Mid Mid (pH 6-8) 3.04 9.48 -35.59 1 4 1 35 353.534 4 ↓

Activity (Go SEA)

Rings

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

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