UCSF

ZINC37541150

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 38 No

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

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.48 3.62 -52.69 5 11 0 172 527.574 4 ↓
Mid Mid (pH 6-8) -0.48 1 -30.88 4 11 0 171 526.566 4 ↓
Mid Mid (pH 6-8) -0.48 5.61 -112.98 6 11 0 173 528.582 4 ↓

Activity (Go SEA)

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