UCSF

ZINC62933038

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 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) -0.49 2.24 -56.31 2 7 -1 112 249.25 3
Mid Mid (pH 6-8) -0.49 2.13 -113.57 4 7 1 115 251.266 3
Mid Mid (pH 6-8) -0.49 2.72 -72.7 3 7 0 113 250.258 3
Mid Mid (pH 6-8) -0.49 1.77 -48.58 3 7 0 113 250.258 3

Activity (Go SEA)

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

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