UCSF

ZINC40100544

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 32 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) 3.87 9.39 -62.16 0 7 -1 88 438.5 10
Lo Low (pH 4.5-6) 3.87 8.63 -17.41 1 7 0 85 439.508 10

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