UCSF

ZINC34577980

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 0.47 9.03 -66.79 0 4 -1 62 296.224 2
Lo Low (pH 4.5-6) 0.47 7.02 -17.31 1 4 0 59 297.232 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5545642; US5605910; US5703094; US5753669; US5986105; US5990122 IBM Patent Data

Activity (Go SEA)

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