UCSF

ZINC51558051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 17 Yes

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) 3.37 9.81 -31.23 1 3 1 31 240.367 9
Hi High (pH 8-9.5) 3.37 8.38 -4.1 0 3 0 30 239.359 9

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