UCSF

ZINC34349845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 23 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) -2.58 1.82 -65.91 6 8 0 146 318.333 7
Mid Mid (pH 6-8) -2.58 1.66 -51.58 5 8 -1 144 317.325 7
Mid Mid (pH 6-8) -2.58 2.33 -100.38 7 8 1 147 319.341 7
Mid Mid (pH 6-8) -2.58 2.1 -72.07 6 8 0 145 318.333 7
Mid Mid (pH 6-8) -2.58 1.86 -68.89 6 8 0 146 318.333 7
Mid Mid (pH 6-8) -2.58 1.57 -61.72 5 8 -1 144 317.325 7

Activity (Go SEA)

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