UCSF

ZINC36154470

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 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) 2.35 4.83 -20.29 2 6 0 84 323.418 7
Hi High (pH 8-9.5) 2.81 4.37 -45.69 2 6 0 92 323.418 7
Hi High (pH 8-9.5) 2.35 5.54 -11.05 2 6 0 84 323.418 7
Hi High (pH 8-9.5) 2.35 6.78 -60.58 3 6 1 89 324.426 7
Mid Mid (pH 6-8) 2.35 6.22 -63.92 3 6 1 89 324.426 7

Activity (Go SEA)

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