UCSF

ZINC09738339

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2007 25 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) -0.02 5.27 -47.38 3 7 1 83 345.423 5
Hi High (pH 8-9.5) 0.16 3.94 -50.47 2 7 0 89 344.415 5

Activity (Go SEA)

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