UCSF

ZINC22205837

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 1.35 3.6 -113.39 5 5 2 71 298.427 9
Hi High (pH 8-9.5) 1.35 2.1 -41.66 4 5 1 66 297.419 9
Mid Mid (pH 6-8) 1.34 0.77 -43.91 4 5 1 70 297.419 9

Activity (Go SEA)

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