UCSF

ZINC43258820

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 0.99 1.02 -45.98 4 3 1 51 320.276 3
Hi High (pH 8-9.5) 0.99 3.24 -37.64 4 3 1 51 320.276 3
Hi High (pH 8-9.5) 0.99 0.73 -3.69 3 3 0 49 319.268 3
Lo Low (pH 4.5-6) 0.99 3.58 -120.81 5 3 2 52 321.284 3

Activity (Go SEA)

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