UCSF

ZINC14684401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 18 No

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) -2.30 6.75 -50.92 1 5 -1 85 248.258 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3947445; US3951980 IBM Patent Data

Activity (Go SEA)

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

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