UCSF

ZINC95635550

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2014 23 Yes

Popular Name: 2-amino-4-O<.i>-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranose; CPD-13545; beta-D-glucosaminyl-(1->4)-beta-D-glucosamine 2-amino-4-O<.i>-(2-amino-2-deoxy…

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) -5.09 -16.93 -112.64 12 11 2 204 342.345 4 ↓
Hi High (pH 8-9.5) -5.09 -17.58 -12.28 10 11 0 201 340.329 4 ↓
Mid Mid (pH 6-8) -5.09 -17.26 -51.35 11 11 1 203 341.337 4 ↓
Mid Mid (pH 6-8) -5.09 -17.26 -43.39 11 11 1 203 341.337 4 ↓

Activity (Go SEA)

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

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