UCSF

ZINC05846913

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 4.26 11.82 -47.82 1 4 1 44 326.416 7
Hi High (pH 8-9.5) 4.26 9.66 -11.55 0 4 0 43 325.408 7

Activity (Go SEA)

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