UCSF

ZINC06690700

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 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) 3.41 9.98 -49.66 2 3 1 34 306.38 5
Mid Mid (pH 6-8) 3.41 10.45 -124.81 3 3 2 36 307.388 5

Activity (Go SEA)

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