UCSF

ZINC19254869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) -0.08 2.85 -55.77 3 5 1 59 279.36 3
Hi High (pH 8-9.5) -0.08 2.02 -6.78 2 5 0 57 278.352 3
Lo Low (pH 4.5-6) -0.08 4.49 -147.27 4 5 2 60 280.368 3

Activity (Go SEA)

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