UCSF

ZINC34618532

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 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) 2.33 3.02 -8.62 2 2 0 43 183.638 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0014566A1; US4029703; US4211702; US4223133; US4226986; US4271305; US5773656 IBM Patent Data

Activity (Go SEA)

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