UCSF

ZINC69482313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 25 No

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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) 0.25 -0.05 -14.59 5 8 0 139 345.307 4
Hi High (pH 8-9.5) 0.25 0.94 -60.11 4 8 -1 142 344.299 4
Lo Low (pH 4.5-6) 0.25 0.34 -60.13 6 8 1 141 346.315 4

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

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