UCSF

ZINC52889771

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 Yes

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) 2.70 8.39 -38.79 1 4 1 28 324.514 8
Hi High (pH 8-9.5) 2.70 6.42 -8.8 0 4 0 27 323.506 8
Lo Low (pH 4.5-6) 2.70 10.6 -98.32 2 4 2 29 325.522 8

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

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