UCSF

ZINC54967554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 15 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) 0.84 -0.04 -47.91 5 4 1 69 226.325 2
Hi High (pH 8-9.5) 0.84 -0.35 -11.4 4 4 0 67 225.317 2

Activity (Go SEA)

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

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