UCSF

ZINC69944556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 2.19 5.67 -105.83 4 2 2 32 212.381 3
Hi High (pH 8-9.5) 2.19 3.75 -42.63 3 2 1 31 211.373 3
Mid Mid (pH 6-8) 2.19 5.89 -26.44 3 2 1 30 211.373 3

Activity (Go SEA)

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

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