UCSF

ZINC54613723

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.75 7.85 -13.33 3 10 0 123 515.368 7
Hi High (pH 8-9.5) 3.75 8.77 -50.89 2 10 -1 126 514.36 7
Hi High (pH 8-9.5) 3.56 7.48 -37.25 2 10 -1 130 514.36 7

Activity (Go SEA)

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