UCSF

ZINC20543034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 22 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) 2.41 7.61 -44.69 2 4 1 39 300.426 7
Hi High (pH 8-9.5) 2.41 5.56 -6.32 1 4 0 37 299.418 7
Lo Low (pH 4.5-6) 2.41 8.04 -90.92 3 4 2 40 301.434 7

Activity (Go SEA)

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