UCSF

ZINC38605014

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 25 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) 2.33 8.16 -98.08 3 6 2 74 428.352 5
Hi High (pH 8-9.5) 2.33 6.34 -33.41 2 6 1 73 427.344 5
Hi High (pH 8-9.5) 2.52 6.56 -36.66 2 6 1 80 427.344 5
Mid Mid (pH 6-8) 2.52 4.59 -11.98 1 6 0 79 426.336 5

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

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