UCSF

ZINC16590166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 28 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) 3.75 8.8 -46.71 3 5 1 63 394.417 9
Hi High (pH 8-9.5) 3.75 6.83 -12.37 2 5 0 61 393.409 9
Hi High (pH 8-9.5) 3.56 7.88 -37.77 2 5 0 69 393.409 9

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