UCSF

ZINC13783192

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 33 No

Popular Name: (4R,4aS,5S,5aS,6S,12aS)-4-dimethylamino-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-te (4R,4aS,5S,5aS,6S,12aS)-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) -1.61 -4.04 -74.86 9 11 1 203 461.447 2 ↓
Ref Reference (pH 7) -1.16 -1.04 -94.78 7 11 -1 209 459.431 2 ↓
Mid Mid (pH 6-8) -1.16 -3.15 -116.57 6 11 -2 208 458.423 2 ↓

Activity (Go SEA)

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