UCSF

ZINC43252629

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) 3.28 4.6 -43.31 3 2 1 31 275.869 5
Hi High (pH 8-9.5) 3.28 5.94 -31.58 3 2 1 30 275.869 5
Hi High (pH 8-9.5) 3.28 3.62 -1.01 2 2 0 29 274.861 5
Lo Low (pH 4.5-6) 3.28 6.39 -111.14 4 2 2 32 276.877 5

Activity (Go SEA)

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