UCSF

ZINC44459652

Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2010 35 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) 4.70 8.13 -45.03 3 5 -1 101 487.701 2
Lo Low (pH 4.5-6) 4.70 6.52 -7.09 4 5 0 98 488.709 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0283713A2; EP0283713B1; EP0383171A2; EP0575496A1; EP0575496B1; EP0641557A1; EP0641557B1; EP0665001A1; EP0665001B1; EP0705593A1; EP0705593B1; EP0717983A1; EP0799049A1; EP0809484A2; EP0809484B1; EP0815845A1; EP0815845B1; EP0852946A2; EP0852946A3; EP086744 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.