UCSF

ZINC52518578

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 17 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) -0.06 -1.79 -10.19 2 7 0 88 241.247 2
Hi High (pH 8-9.5) 0.12 -4.44 -41.32 1 7 -1 94 240.239 2

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

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