UCSF

ZINC39550587

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 34 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) 5.99 12.96 -16.44 1 5 0 87 461.546 5
Mid Mid (pH 6-8) 5.99 13.49 -48 2 5 1 88 462.554 5

Activity (Go SEA)

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