UCSF

ZINC39366936

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 15 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) 3.60 8.08 -8.91 0 2 0 26 198.221 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010360A1; EP0833203A1; EP0882768A2; EP0882768A3; EP0889097A1; US4338316; US5968688; US5998609; US6034236; WO2000073260A1 IBM Patent Data

Activity (Go SEA)

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