UCSF

ZINC48986034

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.56 6.33 -27.08 2 5 0 65 357.429 3
Mid Mid (pH 6-8) 2.86 7.18 -55.65 2 5 0 69 357.429 3
Mid Mid (pH 6-8) 1.56 8.55 -60.69 3 5 1 66 358.437 3

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

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