UCSF

ZINC52538473

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 24 No

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) 3.36 7.35 -38.87 1 5 -1 74 357.436 4
Hi High (pH 8-9.5) 3.40 6.55 -115.95 0 5 -2 74 356.428 4
Mid Mid (pH 6-8) 2.44 9.38 -10.52 2 5 0 67 358.444 5
Mid Mid (pH 6-8) 2.48 8.51 -45.72 1 5 -1 68 357.436 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.