UCSF

ZINC04381913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 31 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) 5.25 13.55 -16.7 1 6 0 65 415.493 9
Mid Mid (pH 6-8) 5.25 13.99 -31.4 2 6 1 66 416.501 9

Activity (Go SEA)

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