UCSF

ZINC53496546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.96 5.91 -13.74 1 5 0 57 277.32 3
Hi High (pH 8-9.5) 2.15 3.34 -48.24 0 5 -1 63 276.312 3
Hi High (pH 8-9.5) 2.15 4.57 -53.68 0 5 -1 63 276.312 3

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

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