UCSF

ZINC53496526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 20 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) 2.04 5.44 -17.81 1 7 0 82 295.73 5
Hi High (pH 8-9.5) 2.23 4.08 -47.52 0 7 -1 88 294.722 5

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

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