UCSF

ZINC38604402

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 No

Popular Name: (4S)-8-[(E)-[[(1S,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]azo]-1,3-dimethyl-4H-purine-2, (4S)-8-[(E)-[[(1S,2S)-2-hydroxy-…

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) 0.12 4.82 -13.1 1 10 0 114 371.401 5 ↓
Lo Low (pH 4.5-6) 0.12 4.32 -27.02 2 10 0 115 372.409 5 ↓

Activity (Go SEA)

Rings

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

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