UCSF

ZINC31300060

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 28 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) 3.63 9.1 -60.42 3 7 1 89 384.456 8
Hi High (pH 8-9.5) 3.45 8.27 -41.85 2 7 0 95 383.448 8
Hi High (pH 8-9.5) 3.45 5.97 -51.69 1 7 -1 94 382.44 8

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