UCSF

ZINC43799247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) -0.62 3.84 -94.96 3 6 2 54 300.447 5
Hi High (pH 8-9.5) -0.62 2.48 -44.15 2 6 1 49 299.439 5
Lo Low (pH 4.5-6) -0.62 6.3 -168.98 4 6 3 55 301.455 5
Lo Low (pH 4.5-6) -0.62 3.91 -99.81 3 6 2 54 300.447 5

Activity (Go SEA)

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