UCSF

ZINC67490022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 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) 4.14 8.87 -38.18 2 3 1 34 298.406 3
Hi High (pH 8-9.5) 4.14 6.78 -5.65 1 3 0 33 297.398 3

Activity (Go SEA)

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

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