UCSF

ZINC23358555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 Yes

Popular Name: 6-chloro-3-[[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)-1-piperidyl]methyl]chromen-4-one 6-chloro-3-[[(3R,4R)-3-hydroxy-4…

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) 1.60 5.92 -94.77 3 6 2 63 393.915 3 ↓
Mid Mid (pH 6-8) 1.60 3.54 -47.56 2 6 1 61 392.907 3 ↓

Activity (Go SEA)

Rings

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

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