UCSF

ZINC62920049

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 15 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) 2.47 6.71 -40.78 2 3 1 43 212.313 6
Hi High (pH 8-9.5) 2.47 5.25 -3.73 1 3 0 38 211.305 6

Activity (Go SEA)

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

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