UCSF

ZINC52538482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 25 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) 3.81 8.03 -39.14 1 5 -1 74 371.463 4
Hi High (pH 8-9.5) 3.85 7.22 -116.91 0 5 -2 74 370.455 4
Mid Mid (pH 6-8) 2.89 10.12 -10.6 2 5 0 67 372.471 5
Mid Mid (pH 6-8) 2.93 9.06 -46.37 1 5 -1 68 371.463 5

Activity (Go SEA)

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

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