UCSF

ZINC43454502

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 2.98 7.89 -102.62 4 2 2 32 228.424 10
Hi High (pH 8-9.5) 2.98 7.5 -30.69 3 2 1 30 227.416 10
Hi High (pH 8-9.5) 2.98 5.77 -42.18 3 2 1 31 227.416 10

Activity (Go SEA)

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