UCSF

ZINC40770394

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 2.77 6.54 -35.2 2 4 1 33 297.854 5
Hi High (pH 8-9.5) 2.77 4.52 -3.61 1 4 0 31 296.846 5
Mid Mid (pH 6-8) 2.77 6.17 -36.49 2 4 1 33 297.854 5

Activity (Go SEA)

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