UCSF

ZINC40181051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

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Annotations

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) 1.72 8.78 -18.76 1 7 0 80 391.475 5
Lo Low (pH 4.5-6) 1.72 9.23 -36.9 2 7 1 81 392.483 5

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