UCSF

ZINC37822933

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.66 6.59 -90.55 3 5 2 51 285.432 5
Hi High (pH 8-9.5) 0.66 5.39 -37.38 2 5 1 46 284.424 5

Activity (Go SEA)

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