UCSF

ZINC42101980

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 18 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) 2.16 3.92 -34.35 3 4 1 55 249.334 4
Mid Mid (pH 6-8) 2.16 2.81 -5.91 2 4 0 50 248.326 4

Activity (Go SEA)

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