UCSF

ZINC43404330

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 12 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) 0.61 1.44 -41.2 4 3 1 61 167.232 2
Hi High (pH 8-9.5) 0.61 1.04 -10.77 3 3 0 59 166.224 2

Activity (Go SEA)

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