UCSF

ZINC54893029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 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) 3.34 4.42 -11.37 1 5 0 60 315.369 7
Hi High (pH 8-9.5) 3.34 6.52 -61.62 0 5 -1 63 314.361 7
Hi High (pH 8-9.5) 3.34 5.35 -51.95 0 5 -1 63 314.361 7
Lo Low (pH 4.5-6) 3.34 6 -30.45 2 5 1 62 316.377 7
Lo Low (pH 4.5-6) 3.34 4.84 -29.99 2 5 1 62 316.377 7

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

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