UCSF

ZINC43981004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.29 5.76 -117.07 3 5 2 49 296.411 8
Hi High (pH 8-9.5) 2.29 3.67 -5.93 1 5 0 43 294.395 8
Hi High (pH 8-9.5) 2.29 3.74 -48.36 2 5 1 48 295.403 8
Mid Mid (pH 6-8) 2.29 6.15 -35.39 2 5 1 44 295.403 8

Activity (Go SEA)

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