UCSF

ZINC37854797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.23 1.74 -116.09 4 5 2 54 273.421 7
Mid Mid (pH 6-8) -0.23 4.54 -105.29 4 5 2 58 273.421 7
Mid Mid (pH 6-8) -0.23 0.47 -30.31 3 5 1 49 272.413 7
Mid Mid (pH 6-8) -0.23 2.74 -81.2 4 5 2 50 273.421 7
Lo Low (pH 4.5-6) -0.23 4 -200.91 5 5 3 55 274.429 7

Activity (Go SEA)

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