UCSF

ZINC04823096

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 18 Yes

CAS Number: 73-03-0

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) -0.78 -2.07 -9.71 4 8 0 119 251.246 2
Lo Low (pH 4.5-6) -0.78 -1.81 -39.11 5 8 1 121 252.254 2
Lo Low (pH 4.5-6) -0.78 -6.19 -35.71 5 8 1 121 252.254 2

Vendor Notes

Note Type Comments Provided By
Target Apoptosis regulator Bcl-2(P10415)&Baculoviral IAP repeat-containing protein 5(O15392)&Apoptosis regulator BAX(Q07812) Herbal Ingredients Targets

Activity (Go SEA)

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