UCSF

ZINC43248226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 2.14 3.72 -44.81 3 2 1 31 239.408 3
Hi High (pH 8-9.5) 2.14 5.75 -25.94 3 2 1 30 239.408 3
Hi High (pH 8-9.5) 2.14 3.43 -2.29 2 2 0 29 238.4 3
Lo Low (pH 4.5-6) 2.14 5.92 -115.49 4 2 2 32 240.416 3

Activity (Go SEA)

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