UCSF

ZINC39383107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 17 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) 1.60 4.98 -12.51 1 4 0 64 238.283 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0357009A2; EP0357009B1; EP0362816A1; EP0362816B1; US4952710; US5106750 IBM Patent Data
PUBCHEM_PATENT_ID EP0357009A2; EP0357009B1; EP0494063A3; US5106750; US5157052; US5218139 IBM Patent Data

Activity (Go SEA)

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