UCSF

ZINC22174148

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) -0.36 2.08 -46.8 3 6 1 85 298.388 3
Hi High (pH 8-9.5) -0.36 1.69 -14.81 2 6 0 84 297.38 3

Activity (Go SEA)

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