UCSF

ZINC22078196

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 3.64 8.54 -34.77 1 2 1 8 300.253 2
Hi High (pH 8-9.5) 3.64 6.36 -2.99 0 2 0 6 299.245 2

Activity (Go SEA)

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