UCSF

ZINC06677559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 24 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) 1.28 6.51 -9.38 0 6 0 57 341.289 5
Mid Mid (pH 6-8) 1.28 6.88 -35.62 1 6 1 58 342.297 5

Activity (Go SEA)

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