UCSF

ZINC34435624

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 18 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) 2.62 10.36 -42.52 1 3 1 31 250.362 9
Hi High (pH 8-9.5) 2.62 8.06 -6.21 0 3 0 30 249.354 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5110807; US5190930 IBM Patent Data

Activity (Go SEA)

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