UCSF

ZINC37187801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) -1.05 2.64 -132.92 3 6 2 75 305.444 4
Hi High (pH 8-9.5) -1.05 -0.61 -19.1 1 6 0 70 303.428 4
Mid Mid (pH 6-8) -1.05 0.45 -62.22 2 6 1 74 304.436 4
Mid Mid (pH 6-8) -1.05 1.58 -54.01 2 6 1 71 304.436 4

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

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