UCSF

ZINC19667842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 20 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) 1.49 3.46 -47.84 3 4 1 53 274.388 6
Hi High (pH 8-9.5) 1.49 5.1 -37.07 3 4 1 53 274.388 6
Mid Mid (pH 6-8) 1.49 5.56 -125.83 4 4 2 54 275.396 6
Lo Low (pH 4.5-6) 1.49 6.04 -187.89 5 4 3 55 276.404 6

Activity (Go SEA)

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