UCSF

ZINC32086794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 No

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) -0.66 8.05 -81.66 1 6 0 82 324.421 4
Mid Mid (pH 6-8) -0.66 6.65 -63.55 0 6 -1 81 323.413 4

Activity (Go SEA)

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