UCSF

ZINC22926931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 Yes

Popular Name: 1-(4-acetylphenyl)-3-[[(2R,4S,5S)-5-[(2-dimethylaminoethyl-methyl-amino)methyl]quinuclidin-2-yl]meth 1-(4-acetylphenyl)-3-[[(2R,4S,5S…

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) 2.43 8.42 -95.33 4 7 2 70 417.598 9 ↓
Hi High (pH 8-9.5) 2.43 7.9 -113.75 4 7 2 70 417.598 9 ↓
Hi High (pH 8-9.5) 2.43 5.94 -49.64 3 7 1 69 416.59 9 ↓
Lo Low (pH 4.5-6) 2.43 10.3 -208.19 5 7 3 72 418.606 9 ↓

Activity (Go SEA)

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