UCSF

ZINC37824046

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.26 5.31 -81.58 3 5 2 45 284.448 7
Hi High (pH 8-9.5) 0.26 4.1 -38.63 2 5 1 40 283.44 7
Hi High (pH 8-9.5) 0.26 4.03 -40.04 2 5 1 40 283.44 7
Lo Low (pH 4.5-6) 0.26 7.77 -163.9 4 5 3 46 285.456 7
Lo Low (pH 4.5-6) 0.26 5.38 -89.83 3 5 2 45 284.448 7

Activity (Go SEA)

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