UCSF

ZINC60018471

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 38 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) 5.02 6.23 -49.59 2 9 -1 133 571.056 9
Hi High (pH 8-9.5) 5.02 6.27 -94.13 1 9 -2 135 570.048 9
Mid Mid (pH 6-8) 5.02 6.15 -22.14 3 9 0 131 572.064 9

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