UCSF

ZINC23093599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 14 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) 0.29 3.58 -85.98 3 3 2 24 197.326 1
Hi High (pH 8-9.5) 0.29 2.22 -33.3 2 3 1 20 196.318 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6156752 IBM Patent Data

Activity (Go SEA)

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