UCSF

ZINC12402794

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 31 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) 2.67 0.51 -13.73 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.85 0.68 -13.16 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.85 2.02 -26.77 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.67 0.48 -13.5 0 7 0 95 438.505 6
Lo Low (pH 4.5-6) 2.85 0.8 -46.13 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.67 1.79 -44.54 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.85 2.13 -55.03 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.67 0.59 -45.01 1 7 1 96 439.513 6

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