UCSF

ZINC41584863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 5.35 12.84 -43.98 2 5 1 58 467.589 6
Hi High (pH 8-9.5) 5.35 11.12 -44.56 0 5 -1 60 465.573 6
Mid Mid (pH 6-8) 5.35 12.79 -45.66 2 5 1 58 467.589 6
Mid Mid (pH 6-8) 5.35 13.41 -28.96 1 5 0 61 466.581 6
Mid Mid (pH 6-8) 5.35 10.54 -9.83 1 5 0 57 466.581 6

Activity (Go SEA)

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