UCSF

ZINC39267595

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 3.56 9.76 -15.49 4 8 0 105 404.474 5
Lo Low (pH 4.5-6) 3.56 10.16 -38.45 5 8 1 107 405.482 5

Activity (Go SEA)

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