UCSF

ZINC37839167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.74 5.66 -22.19 0 5 0 55 209.249 4
Hi High (pH 8-9.5) 0.00 4.53 -58.94 0 5 -1 61 208.241 3

Activity (Go SEA)

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