UCSF

ZINC33778627

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 7.77 15.28 -26.39 2 4 1 40 442.627 8
Mid Mid (pH 6-8) 7.77 15.27 -44.99 2 4 1 43 442.627 8
Mid Mid (pH 6-8) 7.77 14.86 -16.49 1 4 0 39 441.619 8
Lo Low (pH 4.5-6) 7.77 15.69 -97.82 3 4 2 44 443.635 8

Activity (Go SEA)

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