UCSF

ZINC04903944

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 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) 1.13 4.56 -22.57 1 6 0 85 343.36 2
Mid Mid (pH 6-8) 2.43 3.25 -47.07 0 6 -1 89 342.352 2

Activity (Go SEA)

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