UCSF

ZINC39267082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.72 9.21 -17.96 0 5 0 44 397.906 4
Mid Mid (pH 6-8) 2.72 11.45 -62.63 1 5 1 45 398.914 4

Activity (Go SEA)

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