UCSF

ZINC54421276

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 20 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) 2.42 1.09 -6.96 3 8 0 120 331.144 2
Hi High (pH 8-9.5) 2.48 -0.74 -32.34 2 8 -1 126 330.136 2

Activity (Go SEA)

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

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