UCSF

ZINC43242798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.38 1.76 -46.06 5 4 1 74 296.46 6
Hi High (pH 8-9.5) 1.38 1.45 -6.62 4 4 0 72 295.452 6
Hi High (pH 8-9.5) 1.38 2.9 -28.51 5 4 1 74 296.46 6
Lo Low (pH 4.5-6) 1.38 3.23 -107.11 6 4 2 75 297.468 6

Activity (Go SEA)

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