UCSF

ZINC33793846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 36 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) 2.77 8.13 -15.74 1 8 0 88 522.446 10
Mid Mid (pH 6-8) 2.77 10.47 -45.96 2 8 1 89 523.454 10

Activity (Go SEA)

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