UCSF

ZINC25445546

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 1.65 2.46 -22.25 3 7 0 115 354.457 5
Hi High (pH 8-9.5) 1.72 1.54 -56.18 2 7 -1 121 353.449 5

Activity (Go SEA)

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