UCSF

ZINC13406301

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 20 No

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) 5.25 7.27 -6.34 1 2 0 33 281.742 2
Hi High (pH 8-9.5) 5.25 8.04 -38.48 0 2 -1 35 280.734 2
Hi High (pH 8-9.5) 5.25 8.86 -45.82 0 2 -1 35 280.734 2
Lo Low (pH 4.5-6) 5.25 8.56 -6.79 2 2 0 34 282.75 2
Lo Low (pH 4.5-6) 5.25 7.7 -37.7 2 2 1 34 282.75 2

Activity (Go SEA)

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