UCSF

ZINC63244364

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 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) -0.86 2.62 -15.57 2 7 0 96 190.166 2
Mid Mid (pH 6-8) -0.80 1.03 -46.54 1 7 -1 103 189.158 2
Mid Mid (pH 6-8) -0.86 2.42 -47.46 1 7 -1 95 189.158 2

Activity (Go SEA)

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

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