UCSF

ZINC33792278

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 38 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) 5.39 12.67 -14.22 0 7 0 60 512.585 5
Mid Mid (pH 6-8) 5.39 14.92 -59.92 1 7 1 61 513.593 5

Activity (Go SEA)

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