UCSF

ZINC39228782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 5.78 12.42 -40.73 3 5 1 59 446.958 5
Mid Mid (pH 6-8) 5.78 10.68 -9.34 2 5 0 57 445.95 5

Activity (Go SEA)

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