UCSF

ZINC37831759

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.09 5.69 -65.59 2 6 -1 104 285.364 9
Lo Low (pH 4.5-6) 1.09 3.65 -20.45 3 6 0 101 286.372 9

Activity (Go SEA)

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