UCSF

ZINC06484558

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 23 Yes

CAS Number: 2345-17-7

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) 2.82 4.2 -12.58 2 6 0 89 314.293 3
Hi High (pH 8-9.5) 2.82 4.94 -59.97 1 6 -1 92 313.285 3

Vendor Notes

Note Type Comments Provided By
Target Low-density lipoprotein receptor(P01130)&Mitogen-activated protein kinase 1(P28482)&Transcription factor p65(Q04206)&NF-kappa-B inhibitor alpha(P25963)&Baculoviral IAP repeat-containing protein 2(Q13490)&Baculoviral IAP repeat-containing protein 4(P98170) Herbal Ingredients Targets

Activity (Go SEA)

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