UCSF

ZINC41195288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 5.07 9.77 -38.28 2 2 1 29 342.315 5
Mid Mid (pH 6-8) 5.07 8.66 -5.49 1 2 0 25 341.307 5

Activity (Go SEA)

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