UCSF

ZINC40448643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 10 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) -0.94 1.35 -42.39 1 4 -1 76 139.134 1
Mid Mid (pH 6-8) -0.94 2.7 -44.9 2 4 0 81 140.142 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5348944 IBM Patent Data

Activity (Go SEA)

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