UCSF

ZINC42827109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 0.97 4.17 -41.74 4 4 1 66 273.356 3
Hi High (pH 8-9.5) 0.97 3.77 -11.89 3 4 0 64 272.348 3

Activity (Go SEA)

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