UCSF

ZINC22128154

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.58 11.34 -43.77 2 3 1 29 377.483 6
Hi High (pH 8-9.5) 4.58 9.98 -4.72 1 3 0 24 376.475 6

Activity (Go SEA)

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