UCSF

ZINC07459133

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2006 24 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) 3.11 7.04 -42.91 3 5 1 63 360.45 9
Hi High (pH 8-9.5) 3.11 5.02 -14.52 2 5 0 61 359.442 9
Hi High (pH 8-9.5) 2.93 6.1 -31.85 2 5 0 69 359.442 9

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