UCSF

ZINC37827065

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) 2.17 5.32 -39.05 3 4 1 57 277.388 4
Hi High (pH 8-9.5) 2.17 3.78 -10.66 2 4 0 53 276.38 4

Activity (Go SEA)

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