UCSF

ZINC12402790

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) 2.74 0.47 -13.4 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 0.54 -13.56 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.92 1.85 -23.95 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.74 0.36 -13.78 0 7 0 95 438.505 6
Lo Low (pH 4.5-6) 2.92 0.72 -38.29 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 1.8 -36.08 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.92 2.03 -41.65 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.74 0.54 -38.39 1 7 1 96 439.513 6

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