UCSF

ZINC37246274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 23 No

CAS Number: 57-50-1

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) -3.74 -15.16 -16.89 8 11 0 190 342.297 5

Vendor Notes

Note Type Comments Provided By
Target Amyloid beta A4 protein(P05067)&Phospholipase A2, membrane associated(P14555)&Insulin-like growth factor-binding protein 3(P17936)&Tenascin(P24821)&Collagen alpha-1(VII) chain(Q02388)&Collagen alpha-2(IV) chain(P08572)&3-hydroxy-3-methylglutaryl-coenzyme Herbal Ingredients Targets

Activity (Go SEA)

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

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