UCSF

ZINC22165035

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.70 6.19 -122.83 4 4 2 51 280.412 5
Hi High (pH 8-9.5) 1.70 4.39 -45.78 3 4 1 49 279.404 5
Hi High (pH 8-9.5) 1.70 5.87 -33.49 3 4 1 49 279.404 5

Activity (Go SEA)

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