UCSF

ZINC62611778

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 16 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) 2.63 6.82 -106.17 3 2 2 21 226.408 1
Hi High (pH 8-9.5) 2.63 5 -35.87 2 2 1 20 225.4 1
Hi High (pH 8-9.5) 2.63 4.14 -0.52 1 2 0 15 224.392 1
Mid Mid (pH 6-8) 2.63 5.78 -26.56 2 2 1 16 225.4 1

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

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