UCSF

ZINC34353038

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 18 No

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) -0.42 2.2 -124.45 7 6 2 113 254.334 7
Hi High (pH 8-9.5) -0.42 1.62 -46.5 6 6 1 112 253.326 7
Lo Low (pH 4.5-6) -0.42 3.46 -268.23 8 6 3 118 255.342 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000051976A1 IBM Patent Data

Activity (Go SEA)

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