UCSF

ZINC41587851

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 3.80 7.26 -9.57 0 6 0 55 434.536 5
Mid Mid (pH 6-8) 3.80 10.14 -52.37 1 6 1 56 435.544 5
Mid Mid (pH 6-8) 3.80 9.53 -47.01 1 6 1 56 435.544 5
Lo Low (pH 4.5-6) 3.80 12.41 -125.83 2 6 2 58 436.552 5

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

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