UCSF

ZINC06676943

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 30 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) 3.37 14.31 -64.55 1 5 1 43 403.55 7
Mid Mid (pH 6-8) 3.37 14.73 -102.15 2 5 2 44 404.558 7

Activity (Go SEA)

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