UCSF

ZINC13282344

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.82 1.14 -13.15 3 6 0 90 151.129 0
Mid Mid (pH 6-8) -0.82 1.63 -38.72 4 6 1 91 152.137 0
Lo Low (pH 4.5-6) -0.82 -2.97 -36.48 4 6 1 91 152.137 0
Lo Low (pH 4.5-6) -0.82 -2.49 -98.78 5 6 2 92 153.145 0
Lo Low (pH 4.5-6) -0.82 1.9 -100.38 5 6 2 92 153.145 0
Lo Low (pH 4.5-6) -0.82 1.42 -31.87 4 6 1 91 152.137 0

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

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