UCSF

ZINC43304730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 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) -0.46 2.31 -14.58 0 6 0 47 296.415 3
Mid Mid (pH 6-8) -0.46 4.56 -50.91 1 6 1 48 297.423 3
Mid Mid (pH 6-8) -0.46 4.45 -45.98 1 6 1 48 297.423 3
Lo Low (pH 4.5-6) -0.46 6.63 -104.13 2 6 2 49 298.431 3

Activity (Go SEA)

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