UCSF

ZINC54111351

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 19 Yes

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) 1.44 7.38 -122.1 3 5 2 60 270.373 8
Hi High (pH 8-9.5) 1.44 3.57 -5.61 1 5 0 55 268.357 8
Mid Mid (pH 6-8) 1.44 6.01 -38.23 2 5 1 56 269.365 8
Mid Mid (pH 6-8) 1.44 4.94 -46.49 2 5 1 59 269.365 8

Activity (Go SEA)

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