UCSF

ZINC47991957

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.54 1.73 -41.35 1 6 -1 94 359.836 5
Mid Mid (pH 6-8) 2.54 1.79 -115.67 0 6 -2 96 358.828 5
Mid Mid (pH 6-8) 2.54 1.63 -42.86 1 6 -1 94 359.836 5
Lo Low (pH 4.5-6) 2.54 1.66 -13.69 2 6 0 92 360.844 5

Activity (Go SEA)

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