UCSF

ZINC39296431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 1.96 4.65 -52.49 1 6 1 62 372.47 2
Mid Mid (pH 6-8) 1.96 4.77 -55.49 1 6 1 62 372.47 2
Mid Mid (pH 6-8) 1.96 2.28 -16.44 0 6 0 61 371.462 2

Activity (Go SEA)

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