UCSF

ZINC43411223

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.45 4.24 -42.04 3 4 1 49 295.447 8
Mid Mid (pH 6-8) 2.45 5.08 -32.9 3 4 1 46 295.447 8
Lo Low (pH 4.5-6) 2.45 6.39 -115.73 4 4 2 51 296.455 8

Activity (Go SEA)

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