UCSF

ZINC33698935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 38 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) 5.48 12.81 -16.97 1 6 0 58 513.613 7
Mid Mid (pH 6-8) 5.48 15.1 -59.36 2 6 1 59 514.621 7

Activity (Go SEA)

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