UCSF

ZINC30107683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2009 32 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) 3.09 9.07 -17.3 0 7 0 60 440.54 10
Mid Mid (pH 6-8) 3.09 11.39 -52.34 1 7 1 62 441.548 10

Activity (Go SEA)

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