UCSF

ZINC23281516

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 24 No

Download: MOL2 SDF SMILES Flexibase

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) 2.22 7.69 -95.54 3 7 2 78 340.468 11
Hi High (pH 8-9.5) 2.22 5.83 -29.91 1 7 0 80 338.452 11
Mid Mid (pH 6-8) 2.22 8.36 -85.63 2 7 1 81 339.46 11
Mid Mid (pH 6-8) 2.22 8.39 -77.68 2 7 1 81 339.46 11

Activity (Go SEA)

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