UCSF

ZINC12342427

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2008 24 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) -0.54 4.6 -48.08 3 7 1 83 331.396 5
Hi High (pH 8-9.5) -0.35 3.27 -50.69 2 7 0 89 330.388 5

Activity (Go SEA)

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