UCSF

ZINC62041913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 34 No

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Annotations

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Vendors

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) 5.53 14.8 -26 1 6 0 71 467.598 5
Hi High (pH 8-9.5) 5.71 13.41 -58.72 0 6 -1 77 466.59 5
Mid Mid (pH 6-8) 5.53 15.26 -36.05 2 6 1 72 468.606 5

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

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