UCSF

ZINC40430879

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) -0.67 -0.34 -39.92 4 6 1 83 278.332 3
Hi High (pH 8-9.5) -0.67 -2.32 -12.52 3 6 0 82 277.324 3

Activity (Go SEA)

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