UCSF

ZINC31779327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 25 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) 4.13 11.9 -13.72 1 4 0 47 339.483 5
Mid Mid (pH 6-8) 4.13 12.38 -45 2 4 1 48 340.491 5

Activity (Go SEA)

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