UCSF

ZINC36168449

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) 2.42 7.39 -38.13 2 5 1 61 294.371 6
Hi High (pH 8-9.5) 2.42 6.18 -11.73 1 5 0 57 293.363 6

Activity (Go SEA)

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