UCSF

ZINC62670083

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 18 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) 2.75 6 -43.02 3 4 1 49 249.382 2
Hi High (pH 8-9.5) 2.75 4.69 -6.38 2 4 0 44 248.374 2
Mid Mid (pH 6-8) 2.75 6.2 -89.4 4 4 2 50 250.39 2

Activity (Go SEA)

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

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