UCSF

ZINC42420961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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
Hi High (pH 8-9.5) 0.11 0.34 -41.66 3 5 1 53 286.44 9
Hi High (pH 8-9.5) 0.11 2.5 -28.34 3 5 1 52 286.44 9
Mid Mid (pH 6-8) 0.11 3.79 -90.73 4 5 2 53 287.448 9
Mid Mid (pH 6-8) 0.11 2.72 -101.89 4 5 2 54 287.448 9

Activity (Go SEA)

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