UCSF

ZINC43700150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -1.85 4.4 -77.28 4 5 1 75 232.348 8
Hi High (pH 8-9.5) -1.85 4 -62.43 3 5 0 74 231.34 8
Hi High (pH 8-9.5) -1.85 1.92 -32.76 3 5 0 74 231.34 8
Lo Low (pH 4.5-6) -1.85 5.63 -164.95 5 5 2 77 233.356 8

Activity (Go SEA)

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