UCSF

ZINC22756314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 22 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) 2.14 0.47 -20.05 3 6 0 106 360.844 5
Hi High (pH 8-9.5) 2.14 1.22 -89.46 1 6 -2 106 358.828 5
Hi High (pH 8-9.5) 2.14 1.15 -45.23 2 6 -1 104 359.836 5
Mid Mid (pH 6-8) 2.14 0.54 -50.24 2 6 -1 108 359.836 5

Activity (Go SEA)

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