UCSF

ZINC55669157

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 23 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) 1.92 11.21 -47.39 1 4 1 30 310.421 4
Mid Mid (pH 6-8) 1.92 9.02 -8.77 0 4 0 28 309.413 4

Activity (Go SEA)

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