UCSF

ZINC34622691

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 5.27 9.13 -15.6 2 4 0 67 374.436 5
Hi High (pH 8-9.5) 5.27 10.47 -68.44 1 4 -1 70 373.428 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0664780A1; EP0664780B1; US5426197; US5661187; US5844004; US5952390; US6127426 IBM Patent Data

Activity (Go SEA)

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