UCSF

ZINC43476787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 11 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) 1.31 1.01 -49.23 4 2 1 48 172.635 2
Hi High (pH 8-9.5) 1.31 1.77 -72.23 3 2 0 51 171.627 2

Activity (Go SEA)

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