UCSF

ZINC22214502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.97 2.15 -104.85 5 5 2 78 287.429 8
Hi High (pH 8-9.5) 0.97 -0.55 -9.96 3 5 0 75 285.413 8
Hi High (pH 8-9.5) 0.97 -0.16 -56.8 4 5 1 77 286.421 8
Hi High (pH 8-9.5) 0.97 1.75 -45.61 4 5 1 77 286.421 8

Activity (Go SEA)

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