UCSF

ZINC72190639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 10 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) -1.26 -1.89 -16.33 3 5 0 89 139.114 1
Mid Mid (pH 6-8) -0.81 -4 -44.49 2 5 -1 92 138.106 1

Activity (Go SEA)

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

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