UCSF

ZINC37824052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.84 5.74 -83.59 3 5 2 45 300.491 8
Lo Low (pH 4.5-6) 0.84 8.23 -162.49 4 5 3 46 301.499 8
Lo Low (pH 4.5-6) 0.84 5.82 -88.37 3 5 2 45 300.491 8

Activity (Go SEA)

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