UCSF

ZINC25410147

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.04 10.08 -47.39 2 5 1 60 339.415 5
Mid Mid (pH 6-8) 3.04 7.78 -14.78 1 5 0 59 338.407 5

Activity (Go SEA)

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