UCSF

ZINC22048470

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 16 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) -0.93 -2.56 -60.54 6 5 1 100 225.268 6
Hi High (pH 8-9.5) -0.93 -2.95 -16.65 5 5 0 99 224.26 6

Activity (Go SEA)

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