UCSF

ZINC40449293

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 1.63 4.24 -39.46 2 2 1 26 170.276 2
Hi High (pH 8-9.5) 1.63 2.87 -2.2 1 2 0 21 169.268 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5589470; US5811412 IBM Patent Data

Activity (Go SEA)

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

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