UCSF

ZINC25517249

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 1.89 4.27 -27.78 3 8 0 117 442.541 10
Hi High (pH 8-9.5) 1.89 3.33 -52.26 2 8 -1 119 441.533 10

Activity (Go SEA)

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