UCSF

ZINC22455183

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.24 7.93 -36.17 1 2 1 8 287.349 4
Hi High (pH 8-9.5) 3.24 5.96 -3.02 0 2 0 6 286.341 4
Mid Mid (pH 6-8) 3.24 8.43 -38.92 1 2 1 8 287.349 4

Activity (Go SEA)

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