UCSF

ZINC40807170

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 15 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) 0.24 3.03 -93.2 5 4 2 61 217.357 5
Hi High (pH 8-9.5) 0.43 -0.01 -49.01 4 4 1 67 216.349 5
Hi High (pH 8-9.5) 0.43 -0.34 -35.14 3 4 0 66 215.341 5
Hi High (pH 8-9.5) 0.24 2.69 -39.32 4 4 1 60 216.349 5

Activity (Go SEA)

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