UCSF

ZINC25345640

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 33 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) 4.49 10.64 -17.49 1 7 0 84 476.687 12
Lo Low (pH 4.5-6) 4.49 11.04 -42.37 2 7 1 86 477.695 12

Activity (Go SEA)

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