UCSF

ZINC37046516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) -0.34 -1.46 -48.8 6 6 1 109 252.294 5
Hi High (pH 8-9.5) -0.34 -1.79 -17.96 5 6 0 107 251.286 5

Activity (Go SEA)

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