UCSF

ZINC42454722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 1.50 5.36 -52.72 4 5 1 83 261.349 5
Mid Mid (pH 6-8) 1.50 3.61 -12 3 5 0 82 260.341 5

Activity (Go SEA)

Rings

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