UCSF

ZINC49535996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2010 18 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) -1.91 -0.79 -12.36 3 8 0 106 255.23 4
Hi High (pH 8-9.5) -1.73 -2.5 -49.48 2 8 -1 112 254.222 4
Hi High (pH 8-9.5) -1.73 -1.47 -49.34 2 8 -1 112 254.222 4

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

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