UCSF

ZINC55075500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 17 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) 1.77 5.13 -86.08 3 3 2 24 241.423 3
Hi High (pH 8-9.5) 1.77 1.91 -0.66 1 3 0 19 239.407 3
Hi High (pH 8-9.5) 1.77 3.85 -29.63 2 3 1 20 240.415 3
Hi High (pH 8-9.5) 1.77 3.3 -38.48 2 3 1 23 240.415 3

Activity (Go SEA)

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

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