UCSF

ZINC65734120

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,3S,6S,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,3S,6S,8R,9R)-3,9-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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 -4.62 -75.02 6 11 0 174 321.206 2 ↓
Hi High (pH 8-9.5) -3.00 -5.59 -104.92 4 11 0 171 319.19 2 ↓
Mid Mid (pH 6-8) -3.00 -5.65 -79.87 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.