UCSF

ZINC31934830

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 2.29 4.51 -51.74 4 5 1 83 322.454 5
Hi High (pH 8-9.5) 2.29 3.34 -13.77 3 5 0 78 321.446 5
Hi High (pH 8-9.5) 2.75 3.45 -42.46 3 5 0 86 321.446 5

Activity (Go SEA)

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