UCSF

ZINC13938643

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 14 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) 3.36 3.85 -9.34 1 3 0 46 221.366 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6165944; WO1999057111A1; WO1999059991A1; WO2000014069A1; WO2000055158A1; WO2000064912A1; WO2000068233A1; WO2000073311A2 IBM Patent Data

Activity (Go SEA)

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