UCSF

ZINC26467214

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 22 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) 2.46 5.72 -47.78 3 5 1 66 307.414 8
Mid Mid (pH 6-8) 2.46 3.42 -11.75 2 5 0 65 306.406 8

Activity (Go SEA)

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