UCSF

ZINC43254156

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) 2.54 4.11 -118.53 6 4 2 75 319.902 9
Hi High (pH 8-9.5) 2.54 1.84 -8.66 4 4 0 72 317.886 9
Hi High (pH 8-9.5) 2.54 2.16 -48.2 5 4 1 74 318.894 9
Mid Mid (pH 6-8) 2.54 3.82 -34.17 5 4 1 74 318.894 9

Activity (Go SEA)

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