UCSF

ZINC42404168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.57 5.67 -39.69 2 2 1 20 225.331 7
Hi High (pH 8-9.5) 2.57 4.24 -2.49 1 2 0 15 224.323 7
Hi High (pH 8-9.5) 2.57 6.35 -38.52 2 2 1 16 225.331 7
Lo Low (pH 4.5-6) 2.57 7.8 -116.5 3 2 2 21 226.339 7

Activity (Go SEA)

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