UCSF

ZINC60120465

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 21 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) -2.38 5.22 -33.84 5 8 1 116 284.303 3
Hi High (pH 8-9.5) -0.10 5 -13.17 4 8 0 115 283.295 3

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

No pre-computed analogs available. Try a structural similarity search.