UCSF

ZINC54910708

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 24 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) 2.48 5.92 -45.93 3 6 1 70 347.826 3
Hi High (pH 8-9.5) 2.48 4.35 -42.2 1 6 -1 72 345.81 3
Mid Mid (pH 6-8) 2.48 3.57 -12.34 2 6 0 69 346.818 3

Activity (Go SEA)

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