UCSF

ZINC22177325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 2.24 4.83 -35.87 4 4 1 60 270.784 4
Hi High (pH 8-9.5) 2.24 2.72 -9.86 3 4 0 58 269.776 4

Activity (Go SEA)

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