UCSF

ZINC26476076

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) -0.07 1.86 -85.25 4 4 2 45 229.368 4
Hi High (pH 8-9.5) -0.07 0.45 -30.75 3 4 1 40 228.36 4
Lo Low (pH 4.5-6) -0.07 2.85 -96.97 4 4 2 41 229.368 4
Lo Low (pH 4.5-6) -0.07 4.25 -195.54 5 4 3 46 230.376 4

Activity (Go SEA)

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