UCSF

ZINC43248749

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.36 2.22 -47.12 5 4 1 74 296.46 5
Hi High (pH 8-9.5) 1.36 3.55 -35.63 5 4 1 74 296.46 5
Hi High (pH 8-9.5) 1.36 1.92 -9.01 4 4 0 72 295.452 5
Lo Low (pH 4.5-6) 1.36 3.86 -115.75 6 4 2 75 297.468 5

Activity (Go SEA)

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