UCSF

ZINC71791619

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2012 25 Yes

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) 0.81 10.41 -54.95 3 5 0 94 337.375 5
Hi High (pH 8-9.5) 0.81 9.65 -52.02 2 5 -1 92 336.367 5

Activity (Go SEA)

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

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