UCSF

ZINC62841708

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 16 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) 1.51 3.77 -40.71 2 3 1 29 227.372 3
Mid Mid (pH 6-8) 1.51 5.66 -96.83 3 3 2 30 228.38 3

Activity (Go SEA)

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

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