UCSF

ZINC62966396

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.34 2.37 -45.79 3 5 1 57 262.333 2
Hi High (pH 8-9.5) 0.34 -0.05 -6.98 2 5 0 56 261.325 2

Activity (Go SEA)

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

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