UCSF

ZINC22465090

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 25 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) 2.75 7.1 -48.36 2 5 1 46 337.447 4
Hi High (pH 8-9.5) 2.75 5.69 -12.84 1 5 0 42 336.439 4
Mid Mid (pH 6-8) 2.75 7.5 -81.36 3 5 2 48 338.455 4

Activity (Go SEA)

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