UCSF

ZINC25337419

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 28 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) 0.90 4.23 -44.01 1 7 1 77 403.528 5
Mid Mid (pH 6-8) 0.90 6.59 -125.18 2 7 2 78 404.536 5
Mid Mid (pH 6-8) 0.90 3.86 -14.72 0 7 0 76 402.52 5

Activity (Go SEA)

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