UCSF

ZINC25453538

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 35 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) 3.65 8.96 -24.38 2 8 0 109 489.553 6
Mid Mid (pH 6-8) 3.65 9.03 -52.39 1 8 -1 111 488.545 6

Activity (Go SEA)

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