UCSF

ZINC36197684

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.32 3.46 -42.31 4 6 1 78 296.391 9
Hi High (pH 8-9.5) 1.32 1.23 -13.88 3 6 0 77 295.383 9

Activity (Go SEA)

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