UCSF

ZINC19367006

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) 2.56 1.59 -49.95 5 4 1 69 273.356 7
Hi High (pH 8-9.5) 2.56 2.11 -38.4 4 4 0 72 272.348 7
Hi High (pH 8-9.5) 2.56 2.37 -64.77 4 4 0 72 272.348 7

Activity (Go SEA)

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