UCSF

ZINC23281135

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 17 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) 2.68 8.13 -35.83 1 2 1 17 231.363 2
Hi High (pH 8-9.5) 2.68 6.02 -3.08 0 2 0 16 230.355 2

Activity (Go SEA)

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