UCSF

ZINC22465115

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) 2.77 7.47 -82.56 3 5 2 48 338.455 4
Hi High (pH 8-9.5) 2.77 5.62 -11.01 1 5 0 42 336.439 4
Mid Mid (pH 6-8) 2.77 7.03 -46.69 2 5 1 46 337.447 4

Activity (Go SEA)

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