UCSF

ZINC41825207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 24 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) 0.88 3.41 -44.15 4 7 1 92 353.83 5
Hi High (pH 8-9.5) 1.06 0.42 -51.34 2 7 -1 97 351.814 5
Mid Mid (pH 6-8) 0.88 1.23 -11.36 3 7 0 91 352.822 5

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