UCSF

ZINC34348501

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 26 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) 4.79 6.82 -14.17 3 5 0 74 375.538 6
Lo Low (pH 4.5-6) 4.79 7.21 -32.78 4 5 1 75 376.546 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0295656A1 IBM Patent Data

Activity (Go SEA)

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

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