UCSF

ZINC39332200

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 21 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) 3.36 9.52 -45.25 2 4 1 47 287.383 4
Hi High (pH 8-9.5) 3.36 6.91 -6.95 1 4 0 45 286.375 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3959309; US4062864; US4172834; US4257952 IBM Patent Data

Activity (Go SEA)

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