UCSF

ZINC32150124

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 16 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) 2.82 8.51 -9.64 0 2 0 20 211.264 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0039903A2; EP0762201A1; EP0764876A1; EP0845706A3; EP0846982A3; EP0851283A3; EP0853255A3; EP0912176A1; EP0923570A1; EP0926550A1; EP0930528A1; EP0934309A1; EP0938025A1; EP0997776A1; EP1037101A1; EP1060163A1; US4617401; US5290921; US5698365; US5716772; US5 IBM Patent Data

Activity (Go SEA)

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