UCSF

ZINC43251889

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.86 1.46 -39.87 4 3 1 51 275.825 3
Hi High (pH 8-9.5) 0.86 2.92 -37.39 4 3 1 51 275.825 3
Hi High (pH 8-9.5) 0.86 0.51 -2.94 3 3 0 49 274.817 3
Lo Low (pH 4.5-6) 0.86 3.21 -122.75 5 3 2 52 276.833 3

Activity (Go SEA)

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