UCSF

ZINC14984393

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 32 No

Popular Name: (4R,4aS,5S,5aS,6S,12aR)-4-dimethylamino-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4a,5,5a,6-tet (4R,4aS,5S,5aS,6S,12aR)-4-dimeth…

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) -0.87 -0.64 -105.85 6 10 -1 188 443.432 2 ↓
Hi High (pH 8-9.5) -1.46 -1.07 -135.92 4 10 -2 184 442.424 2 ↓
Hi High (pH 8-9.5) -1.61 -0.9 -69.67 6 10 -1 184 443.432 1 ↓
Mid Mid (pH 6-8) -0.87 -2.64 -63.82 8 10 1 183 445.448 2 ↓
Mid Mid (pH 6-8) -1.46 -0.64 -75.27 6 10 0 182 444.44 2 ↓
Mid Mid (pH 6-8) -1.46 0.14 -133.45 5 10 -1 185 443.432 2 ↓

Activity (Go SEA)

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