UCSF

ZINC06696806

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.17 12.71 -10.19 0 2 0 17 284.362 2
Mid Mid (pH 6-8) 5.17 13.14 -28.73 1 2 1 19 285.37 2

Activity (Go SEA)

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