UCSF

ZINC04002659

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 24 Yes

Other Names:

MFCD03787503

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) 3.61 1.54 -13.34 0 3 0 30 317.367 3
Mid Mid (pH 6-8) 3.61 1.74 -39.02 1 3 1 31 318.375 3
Lo Low (pH 4.5-6) 3.61 1.87 -97.06 2 3 2 33 319.383 3
Lo Low (pH 4.5-6) 3.61 1.67 -32.35 1 3 1 31 318.375 3

Vendor Notes

Note Type Comments Provided By
melting_point 135 KeyOrganics

Activity (Go SEA)

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

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