UCSF

ZINC36229021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 3.31 5.6 -39.59 3 3 1 46 260.357 6
Hi High (pH 8-9.5) 3.31 6.37 -39.82 2 3 0 49 259.349 6

Activity (Go SEA)

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