UCSF

ZINC37335278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 1.77 4.27 -42.66 3 4 1 62 250.318 6
Hi High (pH 8-9.5) 1.77 3.07 -44.09 1 4 -1 64 248.302 6
Hi High (pH 8-9.5) 1.77 5.2 -60.32 2 4 0 65 249.31 6
Mid Mid (pH 6-8) 1.77 2.13 -10.78 2 4 0 61 249.31 6

Activity (Go SEA)

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