UCSF

ZINC53628681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 26 Yes

Popular Name: 1-[(6S)-2-chloro-6H-purin-6-yl]-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-4-carboxamide 1-[(6S)-2-chloro-6H-purin-6-yl]-…

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) 0.56 3.9 -44.87 3 9 1 113 375.844 5 ↓
Mid Mid (pH 6-8) 0.56 3.44 -17.38 2 9 0 112 374.836 5 ↓

Activity (Go SEA)

Rings

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

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