UCSF

ZINC65734125

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 21 No

Popular Name: 5-amino-1-[(1S,3R,6R,8R,9R)-3,9-dihydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl 5-amino-1-[(1S,3R,6R,8R,9R)-3,9-…

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) -3.00 -4.71 -71.5 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.69 -98.98 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.74 -79.8 5 11 0 172 320.198 2 ↓

Activity (Go SEA)

Rings

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

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