UCSF

ZINC71498420

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) -0.40 0.46 -50.26 3 5 1 66 229.3 4
Hi High (pH 8-9.5) -0.40 0.21 -7.68 2 5 0 65 228.292 4

Activity (Go SEA)

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

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