UCSF

ZINC43252919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 1.65 6.24 -125.78 4 4 2 52 319.902 7
Hi High (pH 8-9.5) 1.65 4.64 -38.11 3 4 1 51 318.894 7
Hi High (pH 8-9.5) 1.65 4.31 -4.84 2 4 0 50 317.886 7
Mid Mid (pH 6-8) 1.65 5.93 -38.5 3 4 1 51 318.894 7

Activity (Go SEA)

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