UCSF

ZINC17376097

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 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) -0.48 -7.04 -15.68 5 10 0 149 297.271 3
Lo Low (pH 4.5-6) -0.48 -11.17 -36.75 6 10 1 150 298.279 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000078941A2 IBM Patent Data

Activity (Go SEA)

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