UCSF

ZINC36159725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 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) 1.67 6.39 -54.45 3 6 1 80 364.491 9
Hi High (pH 8-9.5) 2.13 3.61 -50.04 2 6 0 83 363.483 9

Activity (Go SEA)

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