UCSF

ZINC01536990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 8 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) -0.46 -3.87 -101.79 5 2 2 44 116.208 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0614664B1; US5519024; US5703081 IBM Patent Data

Activity (Go SEA)

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