UCSF

ZINC41513251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.48 4.38 -10.87 1 6 0 68 354.406 5
Hi High (pH 8-9.5) 3.48 4.96 -43.66 0 6 -1 71 353.398 5
Lo Low (pH 4.5-6) 3.48 6.68 -37.42 2 6 1 69 355.414 5

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

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