UCSF

ZINC19868835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 No

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

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) -1.02 -1.31 -55.83 6 10 -1 184 441.416 2 ↓
Hi High (pH 8-9.5) -0.57 -1.87 -122.44 5 10 -2 187 440.408 2 ↓
Hi High (pH 8-9.5) -1.02 -0.29 -111.93 5 10 -2 187 440.408 2 ↓
Mid Mid (pH 6-8) -1.60 -1.22 -51.92 6 10 0 182 442.424 2 ↓
Mid Mid (pH 6-8) -1.60 -0.51 -93.9 5 10 -1 185 441.416 2 ↓
Mid Mid (pH 6-8) -1.02 -0.64 -42.27 7 10 0 186 442.424 2 ↓

Activity (Go SEA)

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