UCSF

ZINC66865763

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.24 2.69 -18.83 0 5 0 58 302.44 4
Lo Low (pH 4.5-6) 1.24 4.9 -60.87 1 5 1 59 303.448 4

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

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