UCSF

ZINC42616351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 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) 0.68 6.19 -34.87 3 3 1 34 276.448 5
Hi High (pH 8-9.5) 0.68 6.79 -32.2 3 3 1 34 276.448 5
Mid Mid (pH 6-8) 0.68 6.65 -92.36 4 3 2 35 277.456 5
Lo Low (pH 4.5-6) 0.68 8.75 -202.2 5 3 3 37 278.464 5
Lo Low (pH 4.5-6) 0.68 9.09 -97.69 4 3 2 35 277.456 5

Activity (Go SEA)

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