UCSF

ZINC27546603

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 24 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) 2.78 6.89 -81.03 5 5 2 74 324.428 4
Hi High (pH 8-9.5) 2.78 4.35 -32.09 4 5 1 72 323.42 4

Activity (Go SEA)

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