UCSF

ZINC41723021

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 17 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) -1.08 1.72 -42.75 5 4 1 76 236.339 2
Hi High (pH 8-9.5) -1.08 1.39 -12.35 4 4 0 74 235.331 2

Activity (Go SEA)

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