UCSF

ZINC19371197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.53 1.98 -40.69 3 6 1 71 283.396 4
Hi High (pH 8-9.5) -0.53 -0.31 -13.54 2 6 0 70 282.388 4

Activity (Go SEA)

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