UCSF

ZINC20111694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 3.17 6.55 -50.04 0 9 -1 103 454.455 6
Mid Mid (pH 6-8) 3.17 5.76 -17.1 1 9 0 100 455.463 6
Mid Mid (pH 6-8) 3.17 8.54 -48.7 1 9 0 104 455.463 6
Mid Mid (pH 6-8) 3.17 7.6 -52.22 2 9 1 101 456.471 6

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

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