UCSF

ZINC33783587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 32 No

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) 1.63 6.69 -18.34 1 8 0 80 465.616 9
Mid Mid (pH 6-8) 1.63 9.02 -54.37 2 8 1 82 466.624 9

Activity (Go SEA)

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