UCSF

ZINC60219112

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) 1.26 1.66 -7.66 0 3 0 39 169.234 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0874854A2; EP1007042A1; US4670553; US5763461; US6080772; WO1998007418A1; WO1998027092A1; WO1998056376A1; WO1999051571A1; WO1999055355A1 IBM Patent Data

Activity (Go SEA)

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

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