UCSF

ZINC39272876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 Yes

Popular Name: 2-[4-[(5R)-2-chloro-5H-purin-6-yl]piperazin-1-yl]-4-methyl-quinoline 2-[4-[(5R)-2-chloro-5H-purin-6-y…

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) 2.88 10.31 -36.82 1 7 1 70 380.863 2 ↓
Hi High (pH 8-9.5) 2.88 9.99 -11.71 0 7 0 69 379.855 2 ↓

Activity (Go SEA)

Rings

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

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