UCSF

ZINC54967696

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 23 Yes

Other Names:

MFCD09951839

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) -0.71 3.29 -17.68 1 9 0 117 330.268 6
Hi High (pH 8-9.5) -0.25 1.63 -63.26 0 9 -1 120 329.26 6

Activity (Go SEA)

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

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