UCSF

ZINC00066375

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 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) 1.83 2.52 -6.93 1 2 0 29 150.103 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5849754; WO1998022463A1 IBM Patent Data

Activity (Go SEA)

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

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