UCSF

ZINC39886146

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.09 5.78 -8.22 2 4 0 65 330.796 2
Mid Mid (pH 6-8) 4.55 4.25 -41.57 1 4 -1 69 329.788 2

Activity (Go SEA)

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