UCSF

ZINC20240653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 4.71 12.6 -52.03 3 6 1 79 453.566 6
Hi High (pH 8-9.5) 5.17 10.85 -74.1 2 6 0 82 452.558 6

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

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