UCSF

ZINC37834369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 No

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) -0.46 2.15 -52.91 2 8 -1 119 296.303 5
Hi High (pH 8-9.5) -0.28 -0.5 -93.17 1 8 -2 125 295.295 5

Activity (Go SEA)

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