UCSF

ZINC06482570

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 22 Yes

CAS Number: 50-36-2

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) 2.87 3.71 -33.25 1 5 1 57 304.366 5

Vendor Notes

Note Type Comments Provided By
Target Caspase-3(P42574)&Caspase-9(P55211)&ETS domain-containing protein Elk-1(P19419)&Uroplakin-3b(Q9BT76)&C-C chemokine receptor type 5(P51681)&C-X-C chemokine receptor type 4(P61073)&Cytochrome P450 2C8(P10632)&Cytochrome P450 2C9(P11712)&Gap junction delta-2 Herbal Ingredients Targets

Activity (Go SEA)

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