UCSF

ZINC33692864

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.08 7.24 -12.45 0 8 0 79 425.533 10
Mid Mid (pH 6-8) 1.08 9.57 -54.94 1 8 1 80 426.541 10

Activity (Go SEA)

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