UCSF

ZINC12399848

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 No

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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) 2.75 -2.36 -15.39 3 11 0 154 489.554 8
Lo Low (pH 4.5-6) 2.75 8.84 -35.39 4 11 1 155 490.562 8
Lo Low (pH 4.5-6) 2.75 8.81 -41.53 4 11 1 155 490.562 8

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

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