UCSF

ZINC25072404

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 32 No

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.02 0.45 -57.11 7 10 0 186 442.424 2 ↓
Hi High (pH 8-9.5) -1.02 -0.81 -117.78 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -0.57 -0.08 -101.36 6 10 -1 188 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 -2.48 -121.38 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.02 -1.78 -55.77 6 10 -1 184 441.416 2 ↓
Mid Mid (pH 6-8) -1.60 0.66 -126.01 5 10 -1 185 441.416 2 ↓

Activity (Go SEA)

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