UCSF

ZINC26892990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 26 Yes

Other Names:

MFCD01753099

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) 1.80 2.69 -15.29 2 6 0 77 358.39 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6143443 IBM Patent Data

Activity (Go SEA)

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

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