UCSF

ZINC19955012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.69 0.1 -6.97 2 5 0 54 279.315 4
Mid Mid (pH 6-8) 0.69 0.06 -9.47 2 5 0 54 279.315 4
Mid Mid (pH 6-8) 0.69 2.39 -42.02 3 5 1 55 280.323 4
Mid Mid (pH 6-8) 0.69 1.36 -44.69 3 5 1 58 280.323 4
Mid Mid (pH 6-8) 0.69 2.37 -38.71 3 5 1 55 280.323 4
Lo Low (pH 4.5-6) 0.69 3.69 -124.29 4 5 2 59 281.331 4
Lo Low (pH 4.5-6) 0.69 3.63 -120.36 4 5 2 59 281.331 4

Activity (Go SEA)

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