UCSF

ZINC36384909

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 33 No

Popular Name: (4S,4aS,5aR,6R,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a, (4S,4aS,5aR,6R,12aS)-7-chloro-4-…

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) -0.06 -2.97 -52.57 6 10 -1 184 477.877 2 ↓
Hi High (pH 8-9.5) -0.64 0 -99.07 4 10 0 184 476.869 2 ↓
Hi High (pH 8-9.5) -0.06 -1.98 -110.09 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) -0.64 0.94 -72.08 6 10 0 182 478.885 2 ↓
Mid Mid (pH 6-8) -0.64 1.94 -89.71 5 10 0 185 477.877 2 ↓
Mid Mid (pH 6-8) 0.39 -1.63 -129.54 5 10 -2 187 476.869 2 ↓
Mid Mid (pH 6-8) 0.39 0.46 -118.16 6 10 -1 188 477.877 2 ↓
Mid Mid (pH 6-8) -0.06 -0.64 -51.36 7 10 0 186 478.885 2 ↓
Lo Low (pH 4.5-6) -0.64 -1.55 -50.21 7 10 0 180 479.893 2 ↓

Activity (Go SEA)

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