UCSF

ZINC05730112

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 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) 3.46 8.7 -45.19 0 4 -1 54 300.341 2
Mid Mid (pH 6-8) 3.46 8.1 -16.11 1 4 0 51 301.349 2
Lo Low (pH 4.5-6) 3.46 8.51 -41.09 2 4 1 52 302.357 2

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

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