UCSF

ZINC69874215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) 2.25 6.16 -54.55 4 6 1 78 371.571 6
Hi High (pH 8-9.5) 2.25 4.69 -16.93 3 6 0 73 370.563 6
Lo Low (pH 4.5-6) 2.25 6.71 -44.46 4 6 1 75 371.571 6

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

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