UCSF

ZINC41585463

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.03 9.41 -12.11 1 7 0 75 522.96 4
Mid Mid (pH 6-8) 5.03 10.18 -46.41 0 7 -1 78 521.952 4
Mid Mid (pH 6-8) 5.03 11.62 -44.5 2 7 1 77 523.968 4
Mid Mid (pH 6-8) 5.03 12.39 -27.45 1 7 0 79 522.96 4

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

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