UCSF

ZINC66884591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 26 Yes

Popular Name: N-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]ethyl]methanesulfonamide N-[2-[4-[2-(3,4-dihydro-2H-quino…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.95 1.51 -19.02 1 7 0 73 380.514 6 ↓
Mid Mid (pH 6-8) 0.95 3.78 -55.95 2 7 1 74 381.522 6 ↓

Activity (Go SEA)

Rings

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

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