UCSF

ZINC71579841

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 23 No

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Annotations

None

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) 4.69 9.88 -9.85 0 5 0 45 307.401 5
Lo Low (pH 4.5-6) 4.69 10.31 -26.99 1 5 1 47 308.409 5
Lo Low (pH 4.5-6) 4.69 10.44 -50.66 2 5 0 48 309.417 5

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

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