UCSF

ZINC38580924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Popular Name: (1S,3R,6R,8R,9R)-8-[6-amino-8-(6-aminohexylamino)purin-9-yl]-3-hydroxy-3-thioxo-2,4,7-trioxa-3$l^{5} (1S,3R,6R,8R,9R)-8-[6-amino-8-(6…

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) 0.61 3.75 -69.41 8 12 1 177 460.477 8 ↓
Lo Low (pH 4.5-6) 0.61 4.22 -111.35 9 12 2 179 461.485 8 ↓

Activity (Go SEA)

Rings

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