UCSF

ZINC03947455

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 33 No

CAS Number: 77-52-1

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) 6.79 12.15 -41.35 1 3 -1 60 455.703 1
Lo Low (pH 4.5-6) 6.79 10.66 -4.46 2 3 0 58 456.711 1

Vendor Notes

Note Type Comments Provided By
Target Apoptosis regulator Bcl-2(P10415)&Bcl-2-like protein 1(Q07817)&Baculoviral IAP repeat-containing protein 5(O15392)&Induced myeloid leukemia cell differentiation protein Mcl-1(Q07820)&Vascular endothelial growth factor A(P15692)&Tyrosine-protein phosphatas Herbal Ingredients Targets

Activity (Go SEA)

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