UCSF

ZINC39228330

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 3.57 7.57 -11.6 2 4 0 48 339.483 4
Mid Mid (pH 6-8) 3.57 9.8 -51.19 3 4 1 49 340.491 4

Activity (Go SEA)

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