UCSF

ZINC36160085

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 1.19 4.46 -54.15 3 7 1 83 405.544 8
Hi High (pH 8-9.5) 1.64 1.79 -45.34 2 7 0 86 404.536 8
Lo Low (pH 4.5-6) 1.19 6.77 -122.59 4 7 2 84 406.552 8

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