UCSF

ZINC22173156

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) 2.25 5.49 -34.92 4 4 1 60 280.367 3
Hi High (pH 8-9.5) 2.25 3.48 -9.39 3 4 0 58 279.359 3

Activity (Go SEA)

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