UCSF

ZINC22011130

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 2.26 5.58 -48.83 2 4 0 65 249.31 3
Hi High (pH 8-9.5) 2.26 6.37 -66.54 1 4 -1 68 248.302 3

Activity (Go SEA)

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