UCSF

ZINC37980879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 13 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) -0.17 0.54 -48.08 2 5 1 65 186.235 6
Hi High (pH 8-9.5) -0.17 -0.82 -8.03 1 5 0 60 185.227 6

Activity (Go SEA)

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