UCSF

ZINC54827325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 2.19 6.74 -33.75 2 3 1 40 234.367 2
Hi High (pH 8-9.5) 2.19 4.25 -4.29 1 3 0 39 233.359 2
Mid Mid (pH 6-8) 2.19 7.25 -107.93 3 3 2 45 235.375 2
Mid Mid (pH 6-8) 2.19 4.77 -40.71 2 3 1 44 234.367 2

Activity (Go SEA)

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

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