UCSF

ZINC34233496

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 31 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) 2.21 5.99 -61.94 3 8 1 84 435.541 14
Mid Mid (pH 6-8) 2.21 7.34 -145.6 4 8 2 89 436.549 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5929112 IBM Patent Data

Activity (Go SEA)

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