UCSF

ZINC00708109

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 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) 4.09 0.42 -15.54 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.09 0.13 -15.02 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.27 1.59 -16.47 0 5 0 68 402.494 5
Mid Mid (pH 6-8) 4.27 0.44 -13.87 0 5 0 68 402.494 5
Lo Low (pH 4.5-6) 4.09 0.3 -34.24 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.27 1.77 -33.21 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.09 1.69 -33.33 1 5 1 69 403.502 5
Lo Low (pH 4.5-6) 4.27 0.62 -34.58 1 5 1 69 403.502 5

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