UCSF

ZINC01396546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 19 Yes

Other Names:

MFCD00173483

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) 3.69 -0.6 -8.29 1 4 0 47 297.763 5

Vendor Notes

Note Type Comments Provided By
melting_point 67 - 68 KeyOrganics

Activity (Go SEA)

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

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