UCSF

ZINC69236368

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) 3.49 5.37 -26.96 4 3 1 56 236.383 1
Hi High (pH 8-9.5) 3.49 4.62 -6.81 3 3 0 55 235.375 1
Mid Mid (pH 6-8) 3.49 5.74 -116.22 5 3 2 58 237.391 1
Mid Mid (pH 6-8) 3.49 5.01 -45.53 4 3 1 56 236.383 1

Activity (Go SEA)

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

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