UCSF

ZINC43897257

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 1.43 6.22 -85.58 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 1.43 5.25 -110.51 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 1.43 5.76 -32.26 2 3 1 20 226.388 3
Lo Low (pH 4.5-6) 1.43 7.39 -93.87 3 3 2 21 227.396 3

Activity (Go SEA)

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