UCSF

ZINC89195833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2013 11 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) 2.29 0.87 -6.66 2 3 0 49 213.034 0
Hi High (pH 8-9.5) 2.29 1.63 -38.88 1 3 -1 52 212.026 0
Hi High (pH 8-9.5) 2.29 1.65 -37.92 1 3 -1 52 212.026 0
Mid Mid (pH 6-8) 2.29 0.88 -6.21 2 3 0 49 213.034 0

Activity (Go SEA)

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

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