UCSF

ZINC21509499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) -2.32 0.69 -54.68 4 6 1 100 285.345 4
Hi High (pH 8-9.5) -2.32 0.37 -13.72 3 6 0 98 284.337 4

Activity (Go SEA)

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