UCSF

ZINC05778627

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 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) -1.50 -1.2 -12.52 3 8 0 121 292.276 3
Hi High (pH 8-9.5) -1.32 -0.88 -42.38 2 8 -1 127 291.268 3

Activity (Go SEA)

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

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