UCSF

ZINC59259586

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 24 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) -5.33 0.2 -129.45 11 12 1 239 347.352 10
Hi High (pH 8-9.5) -5.33 -0.51 -106.78 9 12 -1 236 345.336 10
Mid Mid (pH 6-8) -5.33 -0.15 -92.41 10 12 0 237 346.344 10
Mid Mid (pH 6-8) -5.33 -0.22 -114.02 10 12 0 237 346.344 10
Lo Low (pH 4.5-6) -5.33 -1.79 -137.39 12 12 2 236 348.36 10

Activity (Go SEA)

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