UCSF

ZINC69976321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 14 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) -0.75 0.53 -42.85 4 5 1 78 195.246 2
Hi High (pH 8-9.5) -0.75 0.01 -8.48 3 5 0 77 194.238 2
Mid Mid (pH 6-8) -0.75 0.27 -42.9 3 5 0 77 194.238 2

Activity (Go SEA)

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

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