UCSF

ZINC71528150

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 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) 2.77 8.73 -21.22 1 7 0 80 379.445 4
Mid Mid (pH 6-8) 2.83 6.88 -60.58 0 7 -1 87 378.437 4
Lo Low (pH 4.5-6) 2.77 9.17 -36.01 2 7 1 82 380.453 4

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

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