UCSF

ZINC33819068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 4.65 12.92 -40.78 1 9 1 90 464.546 7
Mid Mid (pH 6-8) 4.65 13.58 -91.92 2 9 2 91 465.554 7
Mid Mid (pH 6-8) 4.65 11.82 -21.26 0 9 0 89 463.538 7

Activity (Go SEA)

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