UCSF

ZINC43411164

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) 0.91 2.42 -42.79 3 5 1 59 295.403 6
Mid Mid (pH 6-8) 0.91 3.38 -36.92 3 5 1 55 295.403 6
Lo Low (pH 4.5-6) 0.91 4.55 -118.61 4 5 2 60 296.411 6

Activity (Go SEA)

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