UCSF

ZINC37831301

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.75 6.76 -61.39 0 5 -1 70 270.349 6
Lo Low (pH 4.5-6) 1.75 5.45 -12.4 1 5 0 67 271.357 6

Activity (Go SEA)

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