UCSF

ZINC40048837

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 No

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Annotations

Vendors

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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) 3.13 4.64 -59.53 2 8 -1 119 519.368 9
Hi High (pH 8-9.5) 3.13 5.56 -116.73 1 8 -2 122 518.36 9
Lo Low (pH 4.5-6) 3.13 3.91 -17.07 3 8 0 117 520.376 9

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