UCSF

ZINC39115176

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 Yes

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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) 0.82 3.08 -37.47 3 3 1 40 187.307 4
Lo Low (pH 4.5-6) 0.82 2.63 -117.77 4 3 2 41 188.315 4
Lo Low (pH 4.5-6) 0.82 1.3 -33.75 3 3 1 37 187.307 4

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