UCSF

ZINC25513651

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 No

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) 2.39 9.33 -32.76 1 9 0 109 386.437 5
Hi High (pH 8-9.5) 2.46 8.42 -48.42 0 9 -1 115 385.429 5

Activity (Go SEA)

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