UCSF

ZINC49850786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 36 No

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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) 6.69 14.71 -59.68 0 4 -1 66 495.724 3
Mid Mid (pH 6-8) 7.98 13.17 -54.55 0 4 -1 66 495.724 4
Mid Mid (pH 6-8) 7.98 12.63 -15.52 1 4 0 64 496.732 4

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No pre-computed analogs available. Try a structural similarity search.