UCSF

ZINC43253629

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) 2.73 4.57 -116.95 5 4 2 61 319.902 8
Hi High (pH 8-9.5) 2.73 3.62 -40.56 4 4 1 60 318.894 8
Hi High (pH 8-9.5) 2.73 3.33 -5.35 3 4 0 58 317.886 8
Mid Mid (pH 6-8) 2.73 4.29 -35.16 4 4 1 60 318.894 8

Activity (Go SEA)

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