UCSF

ZINC37160551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) -0.31 3.76 -55.54 3 7 1 90 297.379 6
Hi High (pH 8-9.5) -0.31 2.77 -20.52 2 7 0 85 296.371 6

Activity (Go SEA)

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