UCSF

ZINC36170863

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 0.07 1.77 -81.74 4 4 2 45 231.384 6
Hi High (pH 8-9.5) 0.07 -0.45 -37.82 3 4 1 43 230.376 6
Hi High (pH 8-9.5) 0.07 -1.86 -3.09 2 4 0 39 229.368 6

Activity (Go SEA)

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