UCSF

ZINC62964861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.37 5.95 -34.85 3 3 1 34 274.432 2
Hi High (pH 8-9.5) 0.37 3.55 -2.05 2 3 0 32 273.424 2
Mid Mid (pH 6-8) 0.37 5.96 -90.87 4 3 2 35 275.44 2

Activity (Go SEA)

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

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