UCSF

ZINC39275870

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 2.31 7.8 -45.79 1 2 1 28 219.283 1
Hi High (pH 8-9.5) 2.31 5.38 -8.5 0 2 0 27 218.275 1

Activity (Go SEA)

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