UCSF

ZINC39261718

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.86 2.33 -42.56 4 2 1 40 206.096 3
Hi High (pH 8-9.5) 1.86 1.94 -2.72 3 2 0 38 205.088 3

Activity (Go SEA)

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