UCSF

ZINC37824031

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) 0.60 4.33 -86.66 4 5 2 56 300.491 7
Hi High (pH 8-9.5) 0.60 4.05 -37.3 3 5 1 54 299.483 7
Lo Low (pH 4.5-6) 0.60 6.8 -171.57 5 5 3 57 301.499 7
Lo Low (pH 4.5-6) 0.60 4.4 -95.4 4 5 2 56 300.491 7

Activity (Go SEA)

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