UCSF

ZINC25499117

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 8.41 14.45 -48.38 0 3 -1 49 431.625 6
Mid Mid (pH 6-8) 8.04 15.56 -10.16 1 3 0 46 432.633 6

Activity (Go SEA)

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