UCSF

ZINC35017890

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 4.14 7.99 -10.86 6 7 0 129 397.467 3
Lo Low (pH 4.5-6) 4.14 7.8 -55.6 7 7 1 131 398.475 3
Lo Low (pH 4.5-6) 4.14 7.83 -30.11 7 7 1 131 398.475 3
Lo Low (pH 4.5-6) 4.14 7.65 -113.33 8 7 2 132 399.483 3

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

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