UCSF

ZINC62321699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 16 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) -0.97 2.17 -84.7 3 5 2 48 224.308 2
Hi High (pH 8-9.5) -0.97 1.71 -47.45 2 5 1 47 223.3 2
Hi High (pH 8-9.5) -0.97 0.34 -9.37 1 5 0 42 222.292 2
Hi High (pH 8-9.5) -0.97 0.8 -28.45 2 5 1 44 223.3 2

Activity (Go SEA)

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

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