UCSF

ZINC22538681

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 16 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) 3.25 8.38 -31.88 1 3 1 31 228.356 5
Hi High (pH 8-9.5) 3.25 6.48 -3.37 0 3 0 30 227.348 5

Activity (Go SEA)

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