UCSF

ZINC71789661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 34 No

Popular Name: (4aS,6aS,6aR,6bR,8aS,9R,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4 (4aS,6aS,6aR,6bR,8aS,9R,10R,12aR…

Find On: PubMed — Wikipedia — Google

CAS Number: 465-99-6

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) 5.55 10.48 -51.79 2 4 -1 81 471.702 2 ↓
Lo Low (pH 4.5-6) 5.55 8.54 -7.2 3 4 0 78 472.71 2 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.