UCSF

ZINC40803799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 2.32 6.33 -96.21 5 4 2 61 297.487 5
Hi High (pH 8-9.5) 2.32 5.56 -36.71 4 4 1 60 296.479 5

Activity (Go SEA)

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