UCSF

ZINC22727219

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 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) 2.75 1.96 -11.63 2 5 0 71 273.288 4
Hi High (pH 8-9.5) 2.75 2.87 -56.06 1 5 -1 74 272.28 4
Lo Low (pH 4.5-6) 2.75 2.36 -30.47 3 5 1 73 274.296 4

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

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