UCSF

ZINC43476794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 2.25 2.52 -46.33 4 2 1 48 200.689 3
Hi High (pH 8-9.5) 2.25 3.29 -60.77 3 2 0 51 199.681 3

Activity (Go SEA)

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