UCSF

ZINC20240448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 4.05 11.36 -49.31 2 5 1 49 405.566 6
Mid Mid (pH 6-8) 4.05 11.37 -52.4 2 5 1 49 405.566 6
Mid Mid (pH 6-8) 4.05 9.1 -13.05 1 5 0 48 404.558 6

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

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