UCSF

ZINC02165689

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 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) 3.39 4.61 -7.22 2 4 0 43 272.348 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4634793; US4692548; US4806647; US4859646 IBM Patent Data

Activity (Go SEA)

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