UCSF

ZINC43411439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.44 1.95 -36.34 3 5 1 59 297.419 8
Hi High (pH 8-9.5) 1.44 0.79 -5.4 2 5 0 54 296.411 8
Mid Mid (pH 6-8) 1.44 2.92 -33.51 3 5 1 55 297.419 8
Lo Low (pH 4.5-6) 1.44 4.07 -110.07 4 5 2 60 298.427 8

Activity (Go SEA)

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