UCSF

ZINC01385228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 19 No

Other Names:

MFCD00139641

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) 2.54 6.33 -14.45 2 4 0 65 252.273 2
Mid Mid (pH 6-8) 2.54 5.94 -9.73 2 4 0 65 252.273 2

Vendor Notes

Note Type Comments Provided By
melting_point 171 - 173 KeyOrganics

Activity (Go SEA)

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

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