UCSF

ZINC22687167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 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) -2.29 8.02 -48.94 2 7 -1 98 388.469 8
Mid Mid (pH 6-8) -2.29 7.58 -26.65 2 7 0 98 389.477 8
Lo Low (pH 4.5-6) -2.29 6.78 -37.55 3 7 1 95 390.485 8

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

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