UCSF

ZINC39318094

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 No

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) 4.19 7.77 -5.02 0 1 0 17 190.286 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5369159; US5405891; US5428162; US5488117; US5516920; US5607624; US5614572; US5665273; US5693829; US5710198; US5773631; US5777008; US5777113; US5807505; US5814692; US5844024; US5883165; US5925758; US5932642; US5955619; US6140397; WO1998055543A1; WO199906 IBM Patent Data

Activity (Go SEA)

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