UCSF

ZINC39917550

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

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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) 4.87 13.33 -44.49 1 5 1 35 442.027 10
Hi High (pH 8-9.5) 4.87 10.96 -11.28 0 5 0 34 441.019 10
Mid Mid (pH 6-8) 4.87 13.22 -48.09 1 5 1 35 442.027 10
Lo Low (pH 4.5-6) 4.87 13.63 -81.88 2 5 2 36 443.035 10

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