UCSF

ZINC31961876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) 0.81 2.35 -52.78 4 5 1 73 249.338 3
Mid Mid (pH 6-8) 0.81 1.96 -15.41 3 5 0 71 248.33 3

Activity (Go SEA)

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