UCSF

ZINC31913855

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 3.17 5.88 -13.13 1 5 0 56 296.326 3
Mid Mid (pH 6-8) 3.17 6.3 -31.72 2 5 1 57 297.334 3

Activity (Go SEA)

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