UCSF

ZINC22175690

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) 1.72 4.01 -38.31 4 5 1 63 277.392 5
Hi High (pH 8-9.5) 1.72 1.77 -12.69 3 5 0 62 276.384 5

Activity (Go SEA)

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