UCSF

ZINC34369646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 27 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) 4.24 8.15 -8.74 1 5 0 45 373.541 6
Mid Mid (pH 6-8) 4.24 10.45 -44.64 2 5 1 46 374.549 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4988814 IBM Patent Data

Activity (Go SEA)

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