UCSF

ZINC22176158

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) 2.00 4.85 -43.4 4 4 1 60 270.784 6
Hi High (pH 8-9.5) 2.00 2.63 -9.91 3 4 0 58 269.776 6

Activity (Go SEA)

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