UCSF

ZINC43251841

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.74 4.2 -45.2 3 2 1 31 259.826 3
Hi High (pH 8-9.5) 2.74 6.25 -32.87 3 2 1 30 259.826 3
Hi High (pH 8-9.5) 2.74 4.5 -1.47 2 2 0 29 258.818 3
Lo Low (pH 4.5-6) 2.74 6.58 -116.36 4 2 2 32 260.834 3

Activity (Go SEA)

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