UCSF

ZINC22163190

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) 2.71 5.92 -44.82 4 4 1 60 280.367 3
Hi High (pH 8-9.5) 2.71 4.09 -11.96 3 4 0 58 279.359 3

Activity (Go SEA)

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