UCSF

ZINC22078327

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 3.25 7.92 -35.81 1 2 1 8 328.249 2
Hi High (pH 8-9.5) 3.25 6.31 -3.06 0 2 0 6 327.241 2

Activity (Go SEA)

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