UCSF

ZINC71150392

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.07 4.77 -73.19 3 5 2 42 289.427 5
Hi High (pH 8-9.5) 1.07 4.61 -44.31 2 5 1 40 288.419 5
Lo Low (pH 4.5-6) 1.07 6.99 -92.78 3 5 2 42 289.427 5

Activity (Go SEA)

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