UCSF

ZINC34324628

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 28 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) 5.21 11.33 -47.14 3 3 1 46 376.52 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4391826; US4845127 IBM Patent Data

Activity (Go SEA)

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