UCSF

ZINC00604600

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 32 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) 3.27 -0.8 -12.14 1 7 0 90 438.455 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0861842A1; US5942518 IBM Patent Data

Activity (Go SEA)

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