UCSF

ZINC71496463

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 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) 2.22 3.86 -37.64 2 2 1 26 170.276 1
Hi High (pH 8-9.5) 2.22 2.68 -1.94 1 2 0 21 169.268 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0719258A1; US5786367; WO1996002508A1 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.