UCSF

ZINC34623305

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 39 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) 6.66 18.66 -16.83 0 6 0 64 523.677 9
Lo Low (pH 4.5-6) 6.66 18.92 -34.55 1 6 1 66 524.685 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5385925; US5587393 IBM Patent Data

Activity (Go SEA)

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