UCSF

ZINC69090799

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 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) 0.61 9.43 -60.34 3 4 1 61 281.42 6
Hi High (pH 8-9.5) 0.61 8.33 -31.5 2 4 0 57 280.412 6
Hi High (pH 8-9.5) 0.61 8.5 -28.81 2 4 0 60 280.412 6

Activity (Go SEA)

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

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