UCSF

ZINC38474973

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 36 Yes

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) 6.61 13.87 -5.87 0 3 0 22 513.453 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0748320A1; US5512570; US5637699; US5691336; US5716942; US5719147; US5780467; US5872116; US5922706; US6048859; WO1995016679A1; WO1995023798A1 IBM Patent Data

Activity (Go SEA)

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